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(Q106314667)
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English
2-[(E)-caffeoyl]-D-threo-isocitrate(3-)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
ion
0 references
part of
isocitrate O-dihydroxycinnamoyltransferase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
mass
351.03686729172995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₁O₁₀³⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C([O-])CC(C(=O)O)C(OC(=O)C=Cc1ccc([O-])c([O-])c1)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C([O-])C[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc([O-])c([O-])c1)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=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
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
KYSQDMNDMYECNZ-GGKWECFFSA-K
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
146672464
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
153067
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
177962413
1 reference
stated in
UniChem
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