gibberellin A13 (CHEBI:72598)

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CHEBI:72598 - gibberellin A₁₃

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ChEBI ID	CHEBI:72598
ChEBI Name	gibberellin A₁₃
Stars
ASCII Name	gibberellin A13
Definition	A C₂₀-gibberellin that is gibberellin A₁₂ in which the 4a-methyl group is oxidised to the corresponding carboxylic acid and a hydroxy substituent is present at the 2β-position.
Last Modified	26 February 2013
Submitter	Steve
Downloads	Molfile

Formula	C20H26O7
Net Charge	0
Average Mass	378.421
Monoisotopic Mass	378.16785
SMILES	[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)O)[C@@]1([H])[C@@]2(C(=O)O)CC[C@H](O)[C@@]1(C)C(=O)O
InChI	InChI=1S/C20H26O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11-,12+,13-,14-,18-,19+,20-/m1/s1
InChIKey	UYRCHWLYXIQJKK-HMRRIYTKSA-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 A₁₃ (CHEBI:72598) has functional parent gibberellin A₁₂ (CHEBI:30088)
	gibberellin A₁₃ (CHEBI:72598) is a C₂₀-gibberellin (CHEBI:20859)
	gibberellin A₁₃ (CHEBI:72598) is a tricarboxylic acid (CHEBI:27093)

IUPAC Names
(1S,2S,4aR,4bR,7R,9aR,10S,10aS)-2-hydroxy-1-methyl-8-methylenedodecahydro-4aH-7,9a-methanobenzo[a]azulene-1,4a,10-tricarboxylic acid
(1α,2β,4aα,4bβ,10β)-2-hydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid

Synonym	Source
GA13	MetaCyc

Manual Xrefs	Databases
CPD-6221	MetaCyc

Registry Numbers	Sources
Reaxys:3040724	Reaxys

Citations