EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:62438 - (S)-2-trans-abscisic acid D-glucopyranosyl ester

ChEBI IDCHEBI:62438
ChEBI Name(S)-2-trans-abscisic acid D-glucopyranosyl ester
Stars
ASCII Name(S)-2-trans-abscisic acid D-glucopyranosyl ester
DefinitionA carboxylic ester that results from the condensation of the carboxylic acid group of (S)-2-trans-abscisic acid with the anomeric hydroxy group of D-glucopyranose.
Last Modified20 April 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H30O9
Net Charge0
Average Mass426.462
Monoisotopic Mass426.18898
SMILESCC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyHLVPIMVSSMJFPS-SHYSOILJSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(S)-2-trans-abscisic acid D-glucopyranosyl ester (CHEBI:62438) has functional parent (S)-2-trans-abscisic acid (CHEBI:18743)
(S)-2-trans-abscisic acid D-glucopyranosyl ester (CHEBI:62438) is a 2-trans-abscisic acid D-glucosyl ester (CHEBI:133910)
Incoming Relation(s)
(S)-2-trans-abscisic acid β-D-glucopyranosyl ester (CHEBI:62437) is a (S)-2-trans-abscisic acid D-glucopyranosyl ester (CHEBI:62438)
Synonyms  Source
1-O-{(2E,4S)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoyl}-D-glucopyranoseChEBI
2-trans-(+)-ABA-GEChEBI
UniProt Name  Source
(S)-2-trans-abscisic acid D-glucopyranosyl esterUniProt
Citations