MiMeDB: Showing metabocard for 5-O-Caffeoylshikimic acid (MMDBc0052278)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-05-16 20:50:42 UTC

Update Date

2025-01-16 02:48:47 UTC

Metabolite ID

MMDBc0052278

Metabolite Identification

Common Name

5-O-Caffeoylshikimic acid

Description

Dattelic acid is found in blackcurrant. Dattelic acid is isolated from Pteridium aquilinum (bracken fern) and from unripe dates (tentative ident.).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₁₆H₁₆O₈

Average Mass

336.296

Monoisotopic Mass

336.0845175

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1

InChI Key

QMPHZIPNNJOWQI-GDDAOPKQSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

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

Metabolic Reactions

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
Eukaryota/Fungi	Basidiomycota	8	Human feces
Eukaryota/Fungi	Ascomycota	2

Exposure Sources

Source Type	Activity	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

Not Available

References

Synthesis Reference

Not Available

General References

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 ]
Yannai, Shmuel (2004). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. Boca Raton: Chapman & Hall/CRC..

Showing metabocard for 5-O-Caffeoylshikimic acid (MMDBc0052278)

MOL for #<Metabolite:0x00007f53845fb250>

3D MOL for #<Metabolite:0x00007f53845fb250>

3D SDF for #<Metabolite:0x00007f53845fb250>

3D-SDF for #<Metabolite:0x00007f53845fb250>

PDB for #<Metabolite:0x00007f53845fb250>

3D PDB for #<Metabolite:0x00007f53845fb250>

SMILES for #<Metabolite:0x00007f53845fb250>

INCHI for #<Metabolite:0x00007f53845fb250>

Structure for #<Metabolite:0x00007f53845fb250>

3D Structure for #<Metabolite:0x00007f53845fb250>