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CHEBI:133480 - gibberellin A98

ChEBI IDCHEBI:133480
ChEBI Namegibberellin A98
Stars
ASCII Namegibberellin A98
DefinitionA C20-gibberellin that is tha lactone form of gibberellin A15 carrying two additional hydroxy substituents at positions 3 and 7.
Last Modified14 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILES[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O)[C@@]1([H])[C@]23COC(=O)[C@]1(C)C[C@@H](O)C3
InChIInChI=1S/C20H26O6/c1-10-5-18-8-20(10,25)4-3-12(18)19-7-11(21)6-17(2,16(24)26-9-19)14(19)13(18)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)/t11-,12-,13-,14-,17-,18+,19-,20+/m1/s1
InChIKeyMEKWLWHELUEYHS-VGGMDSHUSA-N
Species of MetaboliteComponentSourceComments
Spinacea oleracea (ncbitaxon:3562) leaf (BTO:0000713) PubMed (8987503)
Arabidopsis thaliana (ncbitaxon:3702) - MetaboLights (MTBLS129)
Pisum sativum (ncbitaxon:3888) - PubMed (8987503)
Zea mays (ncbitaxon:4577) pollen (BTO:0001097) PubMed (8987503)
Solanum lycopersicum (ncbitaxon:4081) - PubMed (8987503)
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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
gibberellin A98 (CHEBI:133480) has functional parent gibberellin A15 (lactone form) (CHEBI:133339)
gibberellin A98 (CHEBI:133480) has role plant metabolite (CHEBI:76924)
gibberellin A98 (CHEBI:133480) is a C20-gibberellin (CHEBI:20859)
gibberellin A98 (CHEBI:133480) is a dihydroxy monocarboxylic acid (CHEBI:35972)
gibberellin A98 (CHEBI:133480) is a gibberellin monocarboxylic acid (CHEBI:38305)
gibberellin A98 (CHEBI:133480) is a lactone (CHEBI:25000)
gibberellin A98 (CHEBI:133480) is a olefinic compound (CHEBI:78840)
IUPAC Name 
(1R,3S,4aR,4bR,7S,9aS,10S,10aS)-3,7-dihydroxy-1-methyl-8-methylidene-14-oxododecahydro-7,9a-methano-1,4a-(methanooxymethano)benzo[a]azulene-10-carboxylic acid
Synonym  Source
GA98KNApSAcK
Manual XrefsDatabases
35015194ChemSpider
C00000299KNApSAcK
HMDB0041510HMDB
Registry NumbersSources
Reaxys:7662063Reaxys
CAS:95784-14-8KNApSAcK
Citations