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CHEBI:153067 - 2-[(E)-caffeoyl]-D-threo-isocitrate(3−)

ChEBI IDCHEBI:153067
ChEBI Name2-[(E)-caffeoyl]-D-threo-isocitrate(3−)
Stars
ASCII Name2-[(E)-caffeoyl]-D-threo-isocitrate(3-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H11O10
Net Charge-3
Average Mass351.243
Monoisotopic Mass351.03687
SMILESO=C([O-])C[C@H](C(=O)[O-])[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]
InChIInChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/p-3/b4-2+/t8-,13+/m0/s1
InChIKeyKYSQDMNDMYECNZ-GGKWECFFSA-K
ChEBI Ontology
Outgoing Relation(s)
2-[(E)-caffeoyl]-D-threo-isocitrate(3−) (CHEBI:153067) is a tricarboxylic acid trianion (CHEBI:27092)
UniProt Name  Source
2-[(E)-caffeoyl]-D-threo-isocitrate(3−)UniProt