CHEBI:27531 - gibberellin A44 diacid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name gibberellin A44 diacid
ChEBI ID CHEBI:27531
ChEBI ASCII Name gibberellin A44 diacid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5348, CHEBI:24246
Supplier Information
Download Molfile XML SDF
Formula C20H28O6
Net Charge 0
Average Mass 364.43272
Monoisotopic Mass 364.18859
InChI InChI=1S/C20H28O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h12-14,21,26H,1,3-10H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1
InChIKey AXEUUXHMKSPQAI-YTJHIPEWSA-N
SMILES [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21CO)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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.
(via gibberellin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing gibberellin A44 diacid (CHEBI:27531) is a C20-gibberellin (CHEBI:20859)
gibberellin A44 diacid (CHEBI:27531) is a dicarboxylic acid (CHEBI:35692)
gibberellin A44 diacid (CHEBI:27531) is conjugate acid of gibberellin A44 (2−) (diacid form) (CHEBI:143955)
Incoming gibberellin A44 (2−) (diacid form) (CHEBI:143955) is conjugate base of gibberellin A44 diacid (CHEBI:27531)
IUPAC Names
(1S,2S,3S,4R,8R,9R,12S)-12-hydroxy-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
7-hydroxy-4a-(hydroxymethyl)-1β-methyl-8-methylidene-4aα,4bβ-gibbane-1α,10β-dicarboxylic acid
Synonyms Sources
Gibberellin A44 diacid KEGG COMPOUND
Gibberellin A44 open lactone KEGG COMPOUND
Manual Xrefs Databases
C06095 KEGG COMPOUND
LMPR0104170008 LIPID MAPS
View more database links
Registry Number Type Source
88373-65-3 CAS Registry Number KEGG COMPOUND
Last Modified
16 May 2007