MiMeDB: Showing metabocard for Pectic acid (MMDBc0030374)

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-18 00:05:45 UTC

Update Date

2024-10-11 03:48:38 UTC

Metabolite ID

MMDBc0030374

Metabolite Identification

Common Name

Pectic acid

Description

Pectic acid is also known as polygalacturonic acid. (Wikipedia) In E. coli, pectic acid can be produced from pectin in a reaction catalyzed by pectinesterase (EC 3.1.1.11). (KEGG)

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₆H₁₀O₇

Average Mass

194.1394

Monoisotopic Mass

194.042652674

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1

InChI Key

AEMOLEFTQBMNLQ-BKBMJHBISA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

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	504.8
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	308.0
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	43.7
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	223.6
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	304.8
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	350.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	732.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	753.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	973.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	185.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	346.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	200.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	28.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	383.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	646.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	92.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	291.7
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	861.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	620.0

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Pectic acid_TMS_1	C[Si](C)(C)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2274.59
Gas Chromatography	Pectic acid_TMS_2	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1504.57
Gas Chromatography	Pectic acid_TMS_3	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1837.82
Gas Chromatography	Pectic acid_TMS_4	C[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](C(=O)O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2604.44
Gas Chromatography	Pectic acid_TMS_5	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2329.02
Gas Chromatography	Pectic acid_TMS_6	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2091.39
Gas Chromatography	Pectic acid_TMS_7	C[Si](C)(C)O[C@H]1O[C@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1838.91
Gas Chromatography	Pectic acid_TMS_8	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)O)O[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1618.68
Gas Chromatography	Pectic acid_TMS_9	C[Si](C)(C)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1653.04
Gas Chromatography	Pectic acid_TMS_10	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1813.06
Gas Chromatography	Pectic acid_TMS_11	C[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2228.56
Gas Chromatography	Pectic acid_TMS_12	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2362.36
Gas Chromatography	Pectic acid_TMS_13	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2058.06
Gas Chromatography	Pectic acid_TMS_14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1903.87
Gas Chromatography	Pectic acid_TMS_15	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2215.27
Gas Chromatography	Pectic acid_TMS_16	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2038.87
Gas Chromatography	Pectic acid_TMS_17	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2313.81
Gas Chromatography	Pectic acid_TMS_18	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1897.03
Gas Chromatography	Pectic acid_TMS_19	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2255.07
Gas Chromatography	Pectic acid_TMS_20	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1560.42
Gas Chromatography	Pectic acid_TMS_21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)O)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1372.44
Gas Chromatography	Pectic acid_TMS_22	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2114.92
Gas Chromatography	Pectic acid_TMS_23	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1488.69
Gas Chromatography	Pectic acid_TMS_24	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1524.47
Gas Chromatography	Pectic acid_TMS_25	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2075.79
Gas Chromatography	Pectic acid_TMS_26	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1686.55
Gas Chromatography	Pectic acid_TMS_27	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2516.46
Gas Chromatography	Pectic acid_TMS_28	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2299.07
Gas Chromatography	Pectic acid_TMS_29	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1749.39
Gas Chromatography	Pectic acid_TMS_30	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2408.04
Gas Chromatography	Pectic acid_TMS_31	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1895.06
Gas Chromatography	Pectic acid_TMS_1	C[Si](C)(C)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2234.34
Gas Chromatography	Pectic acid_TMS_2	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1646.58
Gas Chromatography	Pectic acid_TMS_3	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]1O	standard polar	2025-10-24	2105.06
Gas Chromatography	Pectic acid_TMS_4	C[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](C(=O)O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2286.33
Gas Chromatography	Pectic acid_TMS_5	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1722.11
Gas Chromatography	Pectic acid_TMS_6	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1745.63
Gas Chromatography	Pectic acid_TMS_7	C[Si](C)(C)O[C@H]1O[C@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2177.18
Gas Chromatography	Pectic acid_TMS_8	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)O)O[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2048.67
Gas Chromatography	Pectic acid_TMS_9	C[Si](C)(C)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1280.34
Gas Chromatography	Pectic acid_TMS_10	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2072.33
Gas Chromatography	Pectic acid_TMS_11	C[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1685.41
Gas Chromatography	Pectic acid_TMS_12	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1481.38
Gas Chromatography	Pectic acid_TMS_13	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1920.77
Gas Chromatography	Pectic acid_TMS_14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1885.87
Gas Chromatography	Pectic acid_TMS_15	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2331.15
Gas Chromatography	Pectic acid_TMS_16	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1501.4
Gas Chromatography	Pectic acid_TMS_17	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2174.53
Gas Chromatography	Pectic acid_TMS_18	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1770.95
Gas Chromatography	Pectic acid_TMS_19	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2047.88
Gas Chromatography	Pectic acid_TMS_20	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1309.31
Gas Chromatography	Pectic acid_TMS_21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)O)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1815.54
Gas Chromatography	Pectic acid_TMS_22	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2529.45
Gas Chromatography	Pectic acid_TMS_23	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2369.41
Gas Chromatography	Pectic acid_TMS_24	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3018.07
Gas Chromatography	Pectic acid_TMS_25	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2213.6
Gas Chromatography	Pectic acid_TMS_26	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2128.99
Gas Chromatography	Pectic acid_TMS_27	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2150.68
Gas Chromatography	Pectic acid_TMS_28	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2371.35
Gas Chromatography	Pectic acid_TMS_29	C[Si](C)(C)O[C@H]1[C@@H](C(=O)O)O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2743.47
Gas Chromatography	Pectic acid_TMS_30	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1406.15
Gas Chromatography	Pectic acid_TMS_31	C[Si](C)(C)OC(=O)[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2169.49

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Feces

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
MMDBp0192118	UDP-glucuronosyltransferase 2B4	Enzyme	P06133	Homo sapiens
MMDBp0192135	UDP-glucuronosyltransferase 1-4	Enzyme	P22310	Homo sapiens
MMDBp0192137	UDP-glucuronosyltransferase 2B7	Enzyme	P16662	Homo sapiens
MMDBp0192140	UDP-glucuronosyltransferase 1-1	Enzyme	P22309	Homo sapiens
MMDBp0192141	UDP-glucuronosyltransferase 1-9	Enzyme	O60656	Homo sapiens
MMDBp0192146	UDP-glucuronosyltransferase 1-6	Enzyme	P19224	Homo sapiens

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

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/Eubacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	29808030

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Serban D, Rordorf-Adam C: Binding characteristics of human serum amyloid P component. Scand J Immunol. 1987 Mar;25(3):275-81. doi: 10.1111/j.1365-3083.1987.tb01073.x. [PubMed:3105045 ]
Nakajima N, Ishihara K, Matsuura Y: Dietary-fiber-degrading enzymes from a human intestinal Clostridium and their application to oligosaccharide production from nonstarchy polysaccharides using immobilized cells. Appl Microbiol Biotechnol. 2002 Jul;59(2-3):182-9. doi: 10.1007/s00253-002-1015-7. Epub 2002 May 3. [PubMed:12111144 ]

Showing metabocard for Pectic acid (MMDBc0030374)

MOL for #<Metabolite:0x00007f9af3819f80>

3D MOL for #<Metabolite:0x00007f9af3819f80>

3D SDF for #<Metabolite:0x00007f9af3819f80>

3D-SDF for #<Metabolite:0x00007f9af3819f80>

PDB for #<Metabolite:0x00007f9af3819f80>

3D PDB for #<Metabolite:0x00007f9af3819f80>

SMILES for #<Metabolite:0x00007f9af3819f80>

INCHI for #<Metabolite:0x00007f9af3819f80>

Structure for #<Metabolite:0x00007f9af3819f80>

3D Structure for #<Metabolite:0x00007f9af3819f80>