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CHEBI:172569 - Gibberellin A113

ChEBI IDCHEBI:172569
ChEBI NameGibberellin A113
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESC=C1CC23CC1C(O)CC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O
InChIInChI=1S/C20H26O5/c1-10-7-20-8-11(10)12(21)6-13(20)19-5-3-4-18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23)
InChIKeyZCRLGANQNRMURE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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 Role:
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 A113 (CHEBI:172569) is a C19-gibberellin (CHEBI:20858)
Gibberellin A113 (CHEBI:172569) is a gibberellin monocarboxylic acid (CHEBI:38305)
IUPAC Name 
4-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
Manual XrefsDatabases
35013496ChemSpider
HMDB0032819HMDB