gibberellin A44 diacid (CHEBI:27531)

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CHEBI:27531 - gibberellin A₄₄ diacid

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ChEBI ID	CHEBI:27531
ChEBI Name	gibberellin A₄₄ diacid
Stars
ASCII Name	gibberellin A44 diacid
Secondary ChEBI IDs	CHEBI:5348, CHEBI:24246
Last Modified	16 May 2007
Downloads	Molfile

Formula	C20H28O6
Net Charge	0
Average Mass	364.438
Monoisotopic Mass	364.18859
SMILES	[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O)[C@@]1([H])[C@@]2(CO)CCC[C@@]1(C)C(=O)O
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

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 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 Relation(s)
	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[10.2.1.0^1,9.0^3,8]pentadecane-2,4-dicarboxylic acid
7-hydroxy-4a-(hydroxymethyl)-1β-methyl-8-methylidene-4aα,4bβ-gibbane-1α,10β-dicarboxylic acid

Synonyms	Source
Gibberellin A44 diacid	KEGG COMPOUND
Gibberellin A44 open lactone	KEGG COMPOUND

Manual Xrefs	Databases
C06095	KEGG COMPOUND
LMPR0104170008	LIPID MAPS

Registry Numbers	Sources
CAS:88373-65-3	KEGG COMPOUND