CHEBI:15714 - trans-sinapic acid

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ChEBI Name trans-sinapic acid
ChEBI ID CHEBI:15714
ChEBI ASCII Name trans-sinapic acid
Definition A sinapic acid in which the double bond has trans-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45676, CHEBI:9152, CHEBI:26681
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Formula C11H12O5
Net Charge 0
Average Mass 224.21000
Monoisotopic Mass 224.068
InChI InChI=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)/b4-3+
InChIKey PCMORTLOPMLEFB-ONEGZZNKSA-N
SMILES COc1cc(cc(OC)c1O)\C=C\C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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.
Application(s): MALDI matrix material
A compound used to form the matrix for MALDI (matrix-assisted laser desorption/ionization) mass spectrometry. MALDI matrix materials are crystalline compounds with a fairly low molecular weight, so as to allow facile vaporization, have strong absorption at UV or IR wavelengths (to rapidly and efficiently absorb laser irradiation), generally contain polar groups (enabling them to be used in aqueous solutions) and are frequently acidic (so assisting ionisation of the compound being studied, which is contained within the matrix material).
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ChEBI Ontology
Outgoing trans-sinapic acid (CHEBI:15714) has role MALDI matrix material (CHEBI:64345)
trans-sinapic acid (CHEBI:15714) has role plant metabolite (CHEBI:76924)
trans-sinapic acid (CHEBI:15714) is a sinapic acid (CHEBI:77131)
trans-sinapic acid (CHEBI:15714) is conjugate acid of trans-sinapate (CHEBI:30023)
Incoming 1,2-di-O-sinapoyl-β-D-glucose (CHEBI:27993) has functional parent trans-sinapic acid (CHEBI:15714)
1-O-sinapoyl-β-D-glucose (CHEBI:16546) has functional parent trans-sinapic acid (CHEBI:15714)
2''-O-(4-sinapoylarabinosyl)isoscoparin (CHEBI:75395) has functional parent trans-sinapic acid (CHEBI:15714)
2''-O-(6-sinapoylglucosyl)isovitexin (CHEBI:75428) has functional parent trans-sinapic acid (CHEBI:15714)
3-O-sinapoylquinic acid (CHEBI:75493) has functional parent trans-sinapic acid (CHEBI:15714)
4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)isovitexin (CHEBI:75564) has functional parent trans-sinapic acid (CHEBI:15714)
4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin (CHEBI:75461) has functional parent trans-sinapic acid (CHEBI:15714)
4-O-sinapoylquinic acid (CHEBI:75496) has functional parent trans-sinapic acid (CHEBI:15714)
5-O-sinapoylquinic acid (CHEBI:75497) has functional parent trans-sinapic acid (CHEBI:15714)
6-O-sinapoyl-D-glucono-1,5-lactone (CHEBI:60076) has functional parent trans-sinapic acid (CHEBI:15714)
6-O-sinapoylhexose (CHEBI:75467) has functional parent trans-sinapic acid (CHEBI:15714)
7-O-(6-sinapoylglucosyl)isoorientin (CHEBI:75516) has functional parent trans-sinapic acid (CHEBI:15714)
7-O-(6-sinapoylglucosyl)isoscoparin (CHEBI:75520) has functional parent trans-sinapic acid (CHEBI:15714)
7-O-(6-sinapoylglucosyl)isovitexin (CHEBI:75413) has functional parent trans-sinapic acid (CHEBI:15714)
N1,N5-dihydroxyferuloyl-N10-sinapoyl spermidine (CHEBI:61516) has functional parent trans-sinapic acid (CHEBI:15714)
N1,N8-bis(sinapoyl)-spermidine (CHEBI:85300) has functional parent trans-sinapic acid (CHEBI:15714)
O-sinapoylglucaric acid (CHEBI:16681) has functional parent trans-sinapic acid (CHEBI:15714)
sinapate ester (CHEBI:60935) has functional parent trans-sinapic acid (CHEBI:15714)
sinapine (CHEBI:16353) has functional parent trans-sinapic acid (CHEBI:15714)
sinapoyl D-glucoside (CHEBI:18428) has functional parent trans-sinapic acid (CHEBI:15714)
sinapoyl-isovitexin 2''-O-arabinoside (CHEBI:75386) has functional parent trans-sinapic acid (CHEBI:15714)
sinapoyltartronic acid (CHEBI:16210) has functional parent trans-sinapic acid (CHEBI:15714)
tricin 7-O-[sinapoyl]-glucoside (CHEBI:75353) has functional parent trans-sinapic acid (CHEBI:15714)
trans-sinapate (CHEBI:30023) is conjugate base of trans-sinapic acid (CHEBI:15714)
sinapoyl group (CHEBI:50561) is substituent group from trans-sinapic acid (CHEBI:15714)
IUPAC Name
(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
Synonyms Sources
(E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid ChemIDplus
sinapic acid ChemIDplus
SINAPINATE PDBeChem
sinapinic acid ChEBI
Database Links Databases
C00002776 KNApSAcK
C00482 KEGG COMPOUND
DB08587 DrugBank
Sinapinic_acid Wikipedia
SXX PDBeChem
View more database links
Registry Numbers Types Sources
2699118 Beilstein Registry Number Beilstein
2699118 Reaxys Registry Number Reaxys
7362-37-0 CAS Registry Number ChemIDplus
Last Modified
08 January 2016