CHEBI:15596 - sinapic acid (S)-malate ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sinapic acid (S)-malate ester
ChEBI ID CHEBI:15596
ChEBI ASCII Name sinapic acid (S)-malate ester
Definition The 4-O-(S)-malate derivative of sinapic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9154, CHEBI:15086, CHEBI:26685
Supplier Information
Download Molfile XML SDF
Formula C15H16O9
Net Charge 0
Average Mass 340.28214
Monoisotopic Mass 340.07943
InChI InChI=1S/C15H16O9/c1-22-10-5-8(3-4-12(17)18)6-11(23-2)14(10)24-15(21)9(16)7-13(19)20/h3-6,9,16H,7H2,1-2H3,(H,17,18)(H,19,20)/b4-3+/t9-/m0/s1
InChIKey SVOZVFTXNDIEBH-NWALNABHSA-N
SMILES COc1cc(cc(OC)c1OC(=O)[C@@H](O)CC(O)=O)\C=C\C(O)=O
ChEBI Ontology
Outgoing sinapic acid (S)-malate ester (CHEBI:15596) has functional parent (S)-malate(2−) (CHEBI:15589)
sinapic acid (S)-malate ester (CHEBI:15596) is a malate ester (CHEBI:36188)
sinapic acid (S)-malate ester (CHEBI:15596) is conjugate acid of sinapoyl (S)-malate(2−) (CHEBI:57426)
Incoming sinapoyl (S)-malate(2−) (CHEBI:57426) is conjugate base of sinapic acid (S)-malate ester (CHEBI:15596)
IUPAC Name
3-(4-{[(2S)-3-carboxy-2-hydroxypropanoyl]oxy}-3,5-dimethoxyphenyl)prop-2-enoic acid
Synonyms Sources
Sinapoyl-(S)-malate KEGG COMPOUND
Sinapoyl-(S)-malate KEGG COMPOUND
Manual Xref Database
C02887 KEGG COMPOUND
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Last Modified
04 August 2014