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CHEBI:29600 - gibberellin A51-catabolite

ChEBI IDCHEBI:29600
ChEBI Namegibberellin A51-catabolite
Stars
ASCII Namegibberellin A51-catabolite
DefinitionA tetracyclic diterpenoid obtained by catabolism of gibberellin A51.
Last Modified30 September 2013
DownloadsMolfile
FormulaC19H22O5
Net Charge0
Average Mass330.380
Monoisotopic Mass330.14672
SMILES[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)O)[C@@]1([H])C2=CC(=O)C[C@@]1(C)C(=O)O
InChIInChI=1S/C19H22O5/c1-9-6-19-7-10(9)3-4-13(19)12-5-11(20)8-18(2,17(23)24)14(12)15(19)16(21)22/h5,10,13-15H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t10-,13+,14-,15-,18-,19+/m1/s1
InChIKeyJBJGOHHQQSPYTO-BLMVKCSQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
gibberellin A51-catabolite (CHEBI:29600) has functional parent gibberellin A51 (CHEBI:29599)
gibberellin A51-catabolite (CHEBI:29600) has parent hydride ent-gibberellane (CHEBI:36766)
gibberellin A51-catabolite (CHEBI:29600) has role metabolite (CHEBI:25212)
gibberellin A51-catabolite (CHEBI:29600) is a dicarboxylic acid (CHEBI:35692)
gibberellin A51-catabolite (CHEBI:29600) is a enone (CHEBI:51689)
gibberellin A51-catabolite (CHEBI:29600) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name 
(1α,4bβ,10β)-1-methyl-8-methylidene-3-oxogibb-4-ene-1,10-dicarboxylic acid
Manual XrefsDatabases
C11854KEGG COMPOUND
LMPR0104170011LIPID MAPS
CPD-498MetaCyc