CHEBI:88526 - Vanillactic acid

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ChEBI Name Vanillactic acid
ChEBI ID CHEBI:88526
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formula C10H12O5
Net Charge 0
Average Mass 212.200
Monoisotopic Mass 212.06847
InChI InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)
InChIKey SVYIZYRTOYHQRE-UHFFFAOYSA-N
SMILES C(C(O)CC=1C=C(C(=CC1)O)OC)(=O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Vanillactic acid (CHEBI:88526) has functional parent pyruvic acid (CHEBI:32816)
Vanillactic acid (CHEBI:88526) is a 2-oxo monocarboxylic acid (CHEBI:35910)
Synonyms Sources
2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid HMDB
3-(3-Methoxy-4-hydroxyphenyl)lactate HMDB
3-(3-Methoxy-4-hydroxyphenyl)lactic acid HMDB
3-(4-Hydroxy-3-methoxyphenyl)-Lactate HMDB
3-(4-Hydroxy-3-methoxyphenyl)-Lactic acid HMDB
3-(4-Hydroxy-3-methoxyphenyl)lactate HMDB
3-(4-Hydroxy-3-methoxyphenyl)lactic acid HMDB
3-Methoxy-4-hydroxyphenyllactate HMDB
3-Methoxy-4-hydroxyphenyllactic acid HMDB
4-Hydroxy-3-methoxyphenyllactic acid HMDB
b-(4-Hydroxy-3-methoxyphenyl)lactate HMDB
b-(4-Hydroxy-3-methoxyphenyl)lactic acid HMDB
beta-(4-Hydroxy-3-methoxyphenyl)lactate HMDB
beta-(4-Hydroxy-3-methoxyphenyl)lactic acid HMDB
Vanillactate HMDB
Vanillyllactate HMDB
Vanillyllactic acid HMDB
VLA HMDB
Manual Xrefs Databases
HMDB0000913 HMDB
VLA Wikipedia
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Registry Number Type Source
2475-56-1 CAS Registry Number KEGG COMPOUND
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