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CHEBI:62421 - (S)-2-trans-abscisate

ChEBI IDCHEBI:62421
ChEBI Name(S)-2-trans-abscisate
Stars
ASCII Name(S)-2-trans-abscisate
DefinitionA 2-trans-abscisate obtained by removal of a proton from the carboxy group of (S)-2-trans-abscisic acid.
Last Modified19 March 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H19O4
Net Charge-1
Average Mass263.313
Monoisotopic Mass263.12888
SMILESCC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C(=O)[O-]
InChIInChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/p-1/b6-5+,10-7+/t15-/m1/s1
InChIKeyJLIDBLDQVAYHNE-IBPUIESWSA-M
ChEBI Ontology
Outgoing Relation(s)
(S)-2-trans-abscisate (CHEBI:62421) is a 2-trans-abscisate (CHEBI:62429)
(S)-2-trans-abscisate (CHEBI:62421) is conjugate base of (S)-2-trans-abscisic acid (CHEBI:18743)
(S)-2-trans-abscisate (CHEBI:62421) is enantiomer of (R)-2-trans-abscisate (CHEBI:62433)
Incoming Relation(s)
(S)-2-trans-abscisic acid (CHEBI:18743) is conjugate acid of (S)-2-trans-abscisate (CHEBI:62421)
(R)-2-trans-abscisate (CHEBI:62433) is enantiomer of (S)-2-trans-abscisate (CHEBI:62421)
IUPAC Name 
(2E,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoate
Synonyms  Source
(S)-2-trans-abscisateChEBI
(S)-2-trans-abscisic acid(1−)ChEBI
2-trans-(+)-ABA(1−)ChEBI
UniProt Name  Source
2-trans-(+)-abscisateUniProt
Citations