CHEBI:16632 - vanillate

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ChEBI Name vanillate
ChEBI ID CHEBI:16632
Definition A methoxybenzoate that is the conjugate base of vanillic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46315, CHEBI:15301, CHEBI:27277
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C8H7O4
Net Charge -1
Average Mass 167.13878
Monoisotopic Mass 167.03498
InChI InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
InChIKey WKOLLVMJNQIZCI-UHFFFAOYSA-M
SMILES COc1cc(ccc1O)C([O-])=O
Roles Classification
Biological Role(s): 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 vanillate (CHEBI:16632) has role plant metabolite (CHEBI:76924)
vanillate (CHEBI:16632) is a methoxybenzoate (CHEBI:25236)
vanillate (CHEBI:16632) is a monohydroxybenzoate (CHEBI:25388)
vanillate (CHEBI:16632) is conjugate base of vanillic acid (CHEBI:30816)
Incoming sodium vanillate (CHEBI:132748) has part vanillate (CHEBI:16632)
vanillic acid (CHEBI:30816) is conjugate acid of vanillate (CHEBI:16632)
IUPAC Name
4-hydroxy-3-methoxybenzoate
Synonyms Sources
4-HYDROXY-3-METHOXYBENZOATE PDBeChem
vanillate UniProt
Manual Xrefs Databases
c0194 UM-BBD
C06672 KEGG COMPOUND
DB08711 DrugBank
VNL PDBeChem
View more database links
Registry Number Type Source
6504377 Reaxys Registry Number Reaxys
Last Modified
22 April 2022