CHEBI:62437 - (S)-2-trans-abscisic acid β-D-glucopyranosyl ester

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ChEBI Name (S)-2-trans-abscisic acid β-D-glucopyranosyl ester
ChEBI ID CHEBI:62437
ChEBI ASCII Name (S)-2-trans-abscisic acid beta-D-glucopyranosyl ester
Definition An (S)-2-trans-abscisic acid D-glucopyranosyl ester derived from β-D-glucopyranose.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H30O9
Net Charge 0
Average Mass 426.45750
Monoisotopic Mass 426.18898
InChI InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7+/t14-,16-,17+,18-,19+,21-/m1/s1
InChIKey HLVPIMVSSMJFPS-CCXFUJSKSA-N
SMILES CC(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Roles Classification
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.
(via 2-trans-abscisic acid D-glucosyl ester )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-2-trans-abscisic acid β-D-glucopyranosyl ester (CHEBI:62437) has functional parent β-D-glucose (CHEBI:15903)
(S)-2-trans-abscisic acid β-D-glucopyranosyl ester (CHEBI:62437) has functional parent (S)-2-trans-abscisic acid (CHEBI:18743)
(S)-2-trans-abscisic acid β-D-glucopyranosyl ester (CHEBI:62437) is a (S)-2-trans-abscisic acid D-glucopyranosyl ester (CHEBI:62438)
IUPAC Name
1-O-{(2E,4S)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoyl}-β-D-glucopyranose
Synonyms Sources
2-trans-(+)-ABA-β-GE ChEBI
2-trans-(+)-abscisic acid beta-D-glucopyranosyl ester ChEBI
β-D-glucopyranosyl trans-(+)-abscisate UniProt
Citation Waiting for Citations Type Source
12114582 PubMed citation Europe PMC
Last Modified
19 March 2015