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CHEBI:30023 - trans-sinapate

Default Structure
ChEBI IDCHEBI:30023
ChEBI Nametrans-sinapate
Stars
ASCII Nametrans-sinapate
DefinitionA member of the class of cinnamates that is the conjugate base of trans-sinapic acid.
Secondary ChEBI IDsCHEBI:15085, CHEBI:26680
Last Modified23 May 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H11O5
Net Charge-1
Average Mass223.204
Monoisotopic Mass223.06120
SMILESCOc1cc(/C=C/C(=O)[O-])cc(OC)c1O
InChIInChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/p-1/b4-3+
InChIKeyPCMORTLOPMLEFB-ONEGZZNKSA-M
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
trans-sinapate (CHEBI:30023) has role plant metabolite (CHEBI:76924)
trans-sinapate (CHEBI:30023) is a cinnamates (CHEBI:36091)
trans-sinapate (CHEBI:30023) is conjugate base of trans-sinapic acid (CHEBI:15714)
Incoming Relation(s)
trans-sinapoyl-AMP(1−) (CHEBI:192469) has functional parent trans-sinapate (CHEBI:30023)
trans-sinapic acid (CHEBI:15714) is conjugate acid of trans-sinapate (CHEBI:30023)
IUPAC Name 
(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Synonyms  Source
3,5-dimethoxy-4-hydroxycinnamateChEBI
SinapateKEGG COMPOUND
UniProt Name  Source
(E)-sinapateUniProt