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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:16169 - homogentisate
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ChEBI Name
homogentisate
ChEBI ID
CHEBI:16169
Definition
A dihydroxy monocarboxylic acid anion that is the conjugate base of (2,6-dihydroxyphenyl)acetic (homogentisic) acid, arising from deprotonation of the carboxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11452, CHEBI:14410, CHEBI:24615
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Formula
C8H7O4
Net Charge
-1
Average Mass
167.13878
Monoisotopic Mass
167.03498
InChI
InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1
InChIKey
IGMNYECMUMZDDF-UHFFFAOYSA-M
SMILES
Oc1ccc(O)c(CC([O-])=O)c1
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
homogentisate (
CHEBI:16169
)
has functional parent
acetate (
CHEBI:30089
)
homogentisate (
CHEBI:16169
)
has role
human metabolite (
CHEBI:77746
)
homogentisate (
CHEBI:16169
)
has role
plant metabolite (
CHEBI:76924
)
homogentisate (
CHEBI:16169
)
is a
hydroxy monocarboxylic acid anion (
CHEBI:36059
)
homogentisate (
CHEBI:16169
)
is conjugate base of
homogentisic acid (
CHEBI:44747
)
Incoming
homogentisic acid (
CHEBI:44747
)
is conjugate acid of
homogentisate (
CHEBI:16169
)
IUPAC Name
(2,5-dihydroxyphenyl)acetate
Synonym
Source
homogentisate
UniProt
Manual Xrefs
Databases
C00544
KEGG COMPOUND
c0108
UM-BBD
View more database links
Registry Numbers
Types
Sources
3668593
Reaxys Registry Number
Reaxys
3668593
Beilstein Registry Number
Beilstein
Last Modified
14 April 2015