CHEBI:72601 - gibberellin A25

ChEBI IDCHEBI:72601
ChEBI Namegibberellin A25
Stars
ASCII Namegibberellin A25
DefinitionA C20-gibberellin that is gibberellin A12 in which the 4a-methyl group is oxidised to the corresponding carboxylic acid.
Last Modified26 February 2013
SubmitterSteve
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILES[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)O)[C@@]1([H])[C@@]2(C(=O)O)CCC[C@@]1(C)C(=O)O
InChIInChI=1S/C20H26O6/c1-10-8-19-9-11(10)4-5-12(19)20(17(25)26)7-3-6-18(2,16(23)24)14(20)13(19)15(21)22/h11-14H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,14-,18-,19+,20-/m1/s1
InChIKeyXOUJCIPAKFLTCI-POPXMCHDSA-N
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 A25 (CHEBI:72601) has functional parent gibberellin A12 (CHEBI:30088)
gibberellin A25 (CHEBI:72601) is a C20-gibberellin (CHEBI:20859)
gibberellin A25 (CHEBI:72601) is a tricarboxylic acid (CHEBI:27093)
gibberellin A25 (CHEBI:72601) is conjugate acid of gibberellin A25(3−) (CHEBI:143959)
Incoming Relation(s)
gibberellin A25(3−) (CHEBI:143959) is conjugate base of gibberellin A25 (CHEBI:72601)
IUPAC Names 
(1R,4aR,4bR,7R,9aR,10S,10aR)-1-methyl-8-methylenedodecahydro-4aH-7,9a-methanobenzo[a]azulene-1,4a,10-tricarboxylic acid
(1α,4aα,4bβ,10β)-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid
Manual XrefsDatabases
CPD1F-84MetaCyc
Registry NumbersSources
Reaxys:2785117Reaxys
Citations