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
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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
4-hydroxy-3-methoxybenzoate UniProt
Manual Xrefs Databases
c0194 UM-BBD
C06672 KEGG COMPOUND
DB08711 DrugBank
VNL PDBeChem
View more database links
Registry Numbers Types Sources
6504377 Beilstein Registry Number Beilstein
6504377 Reaxys Registry Number Reaxys
Last Modified
27 February 2018