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> Main
CHEBI:86553 - 3-hydroxymandelic acid
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ChEBI Name
3-hydroxymandelic acid
ChEBI ID
CHEBI:86553
Definition
A 2-hydroxy monocarboxylic acid that is mandelic acid substituted by a hydroxy group at position 3'.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H8O4
Net Charge
0
Average Mass
168.14670
Monoisotopic Mass
168.04226
InChI
InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
InChIKey
OLSDAJRAVOVKLG-UHFFFAOYSA-N
SMILES
OC(C(O)=O)c1cccc(O)c1
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-hydroxymandelic acid (
CHEBI:86553
)
has functional parent
mandelic acid (
CHEBI:35825
)
3-hydroxymandelic acid (
CHEBI:86553
)
has role
human metabolite (
CHEBI:77746
)
3-hydroxymandelic acid (
CHEBI:86553
)
is a
2-hydroxy monocarboxylic acid (
CHEBI:49302
)
3-hydroxymandelic acid (
CHEBI:86553
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
hydroxy(3-hydroxyphenyl)acetic acid
Synonyms
Sources
2-hydroxy-2-(3-hydroxyphenyl)acetic acid
ChEBI
2-hydroxy-2-(3-hydroxyphenyl)ethanoic acid
ChEBI
m-hydroxymandelic acid
ChEBI
Manual Xref
Database
HMDB0000750
HMDB
View more database links
Registry Numbers
Types
Sources
17119-15-2
CAS Registry Number
ChemIDplus
2365378
Reaxys Registry Number
Reaxys
Citations
Types
Sources
3091293
PubMed citation
Europe PMC
6788786
PubMed citation
Europe PMC
Last Modified
23 October 2015