MiMeDB: Showing metabocard for 2,4,6-Trihydroxybenzoate (MMDBc0000835)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 23:04:51 UTC

Update Date

2022-08-31 06:17:02 UTC

Metabolite ID

MMDBc0000835

Metabolite Identification

Common Name

2,4,6-Trihydroxybenzoate

Description

2,4,6-Trihydroxybenzoic acid is found in garden onion. 2,4,6-Trihydroxybenzoic acid is isolated from onion skin (Allium sp.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₇H₆O₅

Average Mass

170.1195

Monoisotopic Mass

170.021523302

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)

InChI Key

IBHWREHFNDMRPR-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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
MMDBp0192140	UDP-glucuronosyltransferase 1-1	Enzyme	P22309	Homo_sapiens
MMDBp0194143	Glycine N-acyltransferase	Enzyme	Q6IB77	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	Firmicutes	1		Indirect association between microbiota composition and metabolites measured in host biospecimen

Exposure Sources

Food Exposures

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	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

Not Available

General References

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 2,4,6-Trihydroxybenzoate (MMDBc0000835)

MOL for #<Metabolite:0x0000560bdfcfb908>

3D MOL for #<Metabolite:0x0000560bdfcfb908>

3D SDF for #<Metabolite:0x0000560bdfcfb908>

3D-SDF for #<Metabolite:0x0000560bdfcfb908>

PDB for #<Metabolite:0x0000560bdfcfb908>

3D PDB for #<Metabolite:0x0000560bdfcfb908>

SMILES for #<Metabolite:0x0000560bdfcfb908>

INCHI for #<Metabolite:0x0000560bdfcfb908>

Structure for #<Metabolite:0x0000560bdfcfb908>

3D Structure for #<Metabolite:0x0000560bdfcfb908>