Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:16632 - vanillate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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 Numbers
Types
Sources
6504377
Beilstein Registry Number
Beilstein
6504377
Reaxys Registry Number
Reaxys
Last Modified
22 April 2022