MiMeDB: Showing metabocard for Homocysteine (MMDBc0031988)

Microbial

Plant

Animal

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:57:40 UTC

Update Date

2025-11-05 17:13:01 UTC

Metabolite ID

MMDBc0031988

Metabolite Identification

Common Name

Homocysteine

Description

Homocysteine is a sulfur-containing amino acid that belongs to the class of thiols. Chemically, it is a non-proteinogenic amino acid derived from the metabolism of methionine, and its structure includes a central carbon atom bonded to a carboxyl group, an amino group, a thiol group, and a side chain that is a -CH2- group. In biological pathways, homocysteine plays a critical role in the methionine cycle, where it can be remethylated to methionine or transsulfuration to cysteine, depending on the availability of cofactors such as vitamin B12 and folate. Elevated levels of homocysteine, termed hyperhomocysteinemia, are associated with various health conditions, including cardiovascular diseases and thrombosis, as indicated by findings of elevated homocysteine in patients with chronic kidney disease (PMID:41164770 ) and its persistence across hyperhomocysteinemia groups (PMID:41161321 ). Additionally, interventions with folate have demonstrated a significant reduction in homocysteine levels (PMID:41156551 ), highlighting its involvement in inflammatory processes as well (PMID:41169467 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Amino-4-mercaptobutyric acid	ChEBI
Hcy	ChEBI
2-Amino-4-mercaptobutyrate	Generator
(+-)-Homocysteine	HMDB
(S)-2-amino-4-mercapto-Butanoate	HMDB
(S)-2-amino-4-mercapto-Butanoic acid	HMDB
2-amino-4-mercapto-Butanoate	HMDB
2-amino-4-mercapto-Butanoic acid	HMDB
2-amino-4-mercapto-Butyric acid	HMDB
2-amino-4-mercapto-DL-Butyrate	HMDB
2-amino-4-mercapto-DL-Butyric acid	HMDB
2-amino-4-Sulfanylbutanoate	HMDB
2-amino-4-Sulfanylbutanoic acid	HMDB
D,L-Homocysteine	HMDB
DL-2-amino-4-mercapto-Butyric acid	HMDB
DL-2-amino-4-Mercaptobutyric acid	HMDB
DL-Homocysteine	HMDB
DL-Homocysteine (free base)	HMDB
homo-CYS	HMDB
L-2-amino-4-mercapto-Butyric acid	HMDB
L-Homocysteine	HMDB
Usaf b-12	HMDB
Homocysteine, L isomer	MeSH, HMDB
Homocysteine, L-isomer	MeSH, HMDB
2 amino 4 Mercaptobutyric acid	MeSH, HMDB
L-Isomer homocysteine	MeSH, HMDB

Molecular Formula

C₄H₉NO₂S

Average Mass

135.185

Monoisotopic Mass

135.035399227

IUPAC Name

2-amino-4-sulfanylbutanoic acid

Traditional Name

homocysteine

CAS Registry Number

Not Available

SMILES

NC(CCS)C(O)=O

InChI Identifier

InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)

InChI Key

FFFHZYDWPBMWHY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids

Alternative Parents

Substituents

Alpha-amino acid
Thia fatty acid
Fatty acyl
Fatty acid
Amino acid
Alkylthiol
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Hydrocarbon derivative
Primary amine
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organic oxide
Primary aliphatic amine
Organopnictogen compound
Carbonyl group
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

sulfur-containing amino acid (CHEBI:17230 )
non-proteinogenic alpha-amino acid (CHEBI:17230 )
homocysteines (CHEBI:17230 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	14.8 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-2.6	ChemAxon
logS	-0.96	ALOGPS
pKa (Strongest Acidic)	2.46	ChemAxon
pKa (Strongest Basic)	9.41	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	63.32 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	32.94 m³·mol⁻¹	ChemAxon
Polarizability	13.44 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0059-0930000000-b4e6d47b81f1810f1f31	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-004i-0910000000-7b3c5664e3b6b1930674	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-004i-0910000000-0dbe4ce28b468fb874f0	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)	splash10-00di-9730000000-952f5d413ee77e474820	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (2 TMS)	splash10-03yi-3900000000-b5bcb65d1cfa2f5b4a83	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (3 TMS)	splash10-0059-1950000000-09d1f6d02198624082ea	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0059-0981000000-c6d399e1bddf1f7bc057	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0059-0930000000-b4e6d47b81f1810f1f31	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9730000000-952f5d413ee77e474820	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-03yi-3900000000-b5bcb65d1cfa2f5b4a83	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0059-1950000000-09d1f6d02198624082ea	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9000000000-1f800d28bca4b2b7a49f	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-00dj-9700000000-368cb861e20b107da57a	2017-10-06	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0006-9300000000-a8fd35730e901755194e	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-0a4l-9000000000-0e79cc37f5cb8f05cd37	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-052b-9000000000-694b412a6bed9a77958e	2012-07-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000f-9700000000-2e1b7e55ed5da543b557	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-9100000000-7e82906cac0f17bd5123	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0bvi-9000000000-7c49d870f77950b940a5	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-3900000000-4e1b7a42d769b9c2574c	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-7900000000-35b3c5fd78dec88148fb	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-533b0cacf1e578850e94	2016-09-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, experimental)		2014-09-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	475.5
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	345.8
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	38.8
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	263.6
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (void)	2025-10-23	292.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	361.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	821.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	840.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	852.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	204.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	439.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	224.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	58.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	364.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	632.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	63.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	241.4
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	770.9
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	647.4

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Homocysteine_TMS_1	C[Si](C)(C)OC(=O)C(N)CCS	standard non polar	2025-10-24	1604.69
Gas Chromatography	Homocysteine_TMS_2	C[Si](C)(C)SCCC(N)C(=O)O	standard non polar	2025-10-24	1719.0
Gas Chromatography	Homocysteine_TMS_3	C[Si](C)(C)NC(CCS)C(=O)O	standard non polar	2025-10-24	1864.21
Gas Chromatography	Homocysteine_TMS_4	C[Si](C)(C)OC(=O)C(N)CCS[Si](C)(C)C	standard non polar	2025-10-24	1516.46
Gas Chromatography	Homocysteine_TMS_5	C[Si](C)(C)NC(CCS)C(=O)O[Si](C)(C)C	standard non polar	2025-10-24	2119.34
Gas Chromatography	Homocysteine_TMS_6	C[Si](C)(C)NC(CCS[Si](C)(C)C)C(=O)O	standard non polar	2025-10-24	1731.4
Gas Chromatography	Homocysteine_TMS_7	C[Si](C)(C)N(C(CCS)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-24	1736.37
Gas Chromatography	Homocysteine_TMS_8	C[Si](C)(C)NC(CCS[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-24	2152.86
Gas Chromatography	Homocysteine_TMS_9	C[Si](C)(C)OC(=O)C(CCS)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2593.48
Gas Chromatography	Homocysteine_TMS_10	C[Si](C)(C)SCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1849.42
Gas Chromatography	Homocysteine_TMS_11	C[Si](C)(C)OC(=O)C(CCS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1681.59
Gas Chromatography	Homocysteine_TMS_1	C[Si](C)(C)OC(=O)C(N)CCS	standard polar	2025-10-24	2043.87
Gas Chromatography	Homocysteine_TMS_2	C[Si](C)(C)SCCC(N)C(=O)O	standard polar	2025-10-24	2312.65
Gas Chromatography	Homocysteine_TMS_3	C[Si](C)(C)NC(CCS)C(=O)O	standard polar	2025-10-24	2578.37
Gas Chromatography	Homocysteine_TMS_4	C[Si](C)(C)OC(=O)C(N)CCS[Si](C)(C)C	standard polar	2025-10-24	2123.16
Gas Chromatography	Homocysteine_TMS_5	C[Si](C)(C)NC(CCS)C(=O)O[Si](C)(C)C	standard polar	2025-10-24	1219.43
Gas Chromatography	Homocysteine_TMS_6	C[Si](C)(C)NC(CCS[Si](C)(C)C)C(=O)O	standard polar	2025-10-24	1929.62
Gas Chromatography	Homocysteine_TMS_7	C[Si](C)(C)N(C(CCS)C(=O)O)[Si](C)(C)C	standard polar	2025-10-24	2041.04
Gas Chromatography	Homocysteine_TMS_8	C[Si](C)(C)NC(CCS[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-24	2363.2
Gas Chromatography	Homocysteine_TMS_9	C[Si](C)(C)OC(=O)C(CCS)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2183.8
Gas Chromatography	Homocysteine_TMS_10	C[Si](C)(C)SCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2006.9
Gas Chromatography	Homocysteine_TMS_11	C[Si](C)(C)OC(=O)C(CCS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2315.05

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Adipose Tissue
Brain
Feces
Fibroblasts
Intestine
Kidney
Liver
Neuron
Pancreas
Placenta
Platelet
Skeletal Muscle

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018071	Homocysteine	L-Methionine	Methionine synthase	Synthesis	PathBank	31602464
MMDBr0018276	L-Cystathionine	Homocysteine	Cystathionine beta-lyase MetC	Non-hydrolytic bond cleavage (or its reversal)	PathBank	31602464
MMDBr0018411	S-ribosyl-L-homocysteine	Homocysteine	S-ribosylhomocysteine lyase	Non-hydrolytic bond cleavage (or its reversal)	PathBank	31602464
MMDBr0019148	S-Methylmethionine	L-Methionine	Homocysteine S-methyltransferase	Methylation	PathBank	31602464
MMDBr0019197	S-ribosyl-L-homocysteine	4,5-Dihydroxy-2,3-pentanedione	S-ribosylhomocysteine lyase	Non-hydrolytic bond cleavage (or its reversal)	PathBank	31602464
MMDBr0019439	Hydrogen sulfide	Acetic acid	Homocysteine/cysteine synthase	Synthesis	PathBank	31602464
MMDBr0019440	Homocysteine	L-Cystathionine	Putative cystathionine beta-lyase	Non-hydrolytic bond cleavage (or its reversal)	PathBank	31602464
MMDBr0019441	L-Serine	L-Cystathionine	Cystathionine beta-synthase	Synthesis	PathBank	31602464
MMDBr0019447	5-methyltetrahydropteroyltri-L-glutamate	L-Methionine	5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase	Methylation	PathBank	31602464
MMDBr0019448	S-Adenosylhomocysteine	Adenosine	Adenosylhomocysteinase	Reversible hydrolysis	PathBank	31602464
MMDBr0019775	Homocysteine	L-Methionine	Unknown Protein		PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human feces; Human sputum; Human ; Human unknown; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Pig	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	119	Human feces; Human ; Human supragingival plaque; Human subgingival plaque; Human pleural fluid plaque; Human dental plaque; Human mucosa; Human saliva; Human sputum; Human nasopharyngeal swab	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	173	Human feces; Human sputum; Human ; Human unknown; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Pig	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	365	Human feces; Human pleural fluid plaque; Pig ; Human ; Human subgingival plaque; Cattle ; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	116	Human feces; Human appendix biopsy; Human ; Human saliva; Human gastric fluid; Human urine; Human supragingival plaque; Human subgingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	19	Human feces; Human	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified				HMDB
Human Adipose tissue	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Brain	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Intestine	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Pancreas	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB001491

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C05330

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Homocysteine

METLIN ID

Not Available

PubChem Compound

778

PDB ID

Not Available

ChEBI ID

17230

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Sunden SL, Renduchintala MS, Park EI, Miklasz SD, Garrow TA: Betaine-homocysteine methyltransferase expression in porcine and human tissues and chromosomal localization of the human gene. Arch Biochem Biophys. 1997 Sep 1;345(1):171-4. doi: 10.1006/abbi.1997.0246. [PubMed:9281325 ]
Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]
Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for Homocysteine (MMDBc0031988)

MOL for #<Metabolite:0x00007f9aac4069d0>

3D MOL for #<Metabolite:0x00007f9aac4069d0>

3D SDF for #<Metabolite:0x00007f9aac4069d0>

3D-SDF for #<Metabolite:0x00007f9aac4069d0>

PDB for #<Metabolite:0x00007f9aac4069d0>

3D PDB for #<Metabolite:0x00007f9aac4069d0>

SMILES for #<Metabolite:0x00007f9aac4069d0>

INCHI for #<Metabolite:0x00007f9aac4069d0>

Structure for #<Metabolite:0x00007f9aac4069d0>

3D Structure for #<Metabolite:0x00007f9aac4069d0>