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CHEBI:29467 - 2,3-didehydro-gibberellin A9

ChEBI IDCHEBI:29467
ChEBI Name2,3-didehydro-gibberellin A9
Stars
ASCII Name2,3-didehydro-gibberellin A9
DefinitionA C19-gibberellin obtained by formal dehydrogenation across the 2,3-position of gibberellin A9.
Last Modified27 January 2016
DownloadsMolfile
FormulaC19H22O4
Net Charge0
Average Mass314.381
Monoisotopic Mass314.15181
SMILES[H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C(=O)O)[C@@]1([H])[C@@]32CC=C[C@@]1(C)C(=O)O2
InChIInChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,6,11-14H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1
InChIKeyNJHXRWOUQCGQAV-YGNOGLJPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
plant hormone  A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds.
ChEBI Ontology
Outgoing Relation(s)
2,3-didehydro-gibberellin A9 (CHEBI:29467) has functional parent gibberellin A9 (CHEBI:29605)
2,3-didehydro-gibberellin A9 (CHEBI:29467) has role mouse metabolite (CHEBI:75771)
2,3-didehydro-gibberellin A9 (CHEBI:29467) is a C19-gibberellin (CHEBI:20858)
2,3-didehydro-gibberellin A9 (CHEBI:29467) is a gibberellin monocarboxylic acid (CHEBI:38305)
IUPAC Names 
(1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibb-2-ene-10β-carboxylic acid
Synonyms  Source
2,3-Dehydro-gibberellin A9KEGG COMPOUND
2,3-Didehydro-gibberellin A9KEGG COMPOUND
Manual XrefsDatabases
C11866KEGG COMPOUND
LMPR0104170023LIPID MAPS
Registry NumbersSources
Beilstein:1398580Beilstein
Reaxys:8941399Reaxys
CAS:2531-21-7KEGG COMPOUND