gibberellin A45 (CHEBI:142003)

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CHEBI:142003 - gibberellin A₄₅

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ChEBI ID	CHEBI:142003
ChEBI Name	gibberellin A₄₅
Stars
ASCII Name	gibberellin A45
Definition	A C₁₉-gibberellin, initially identified in Pyrus communis. It differs from gibberellin A₁ in the absence of OH groups at C-2 and -7 and the presence of a β-OH at C-9 (all gibbane numbering).
Last Modified	5 September 2018
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C19H24O5
Net Charge	0
Average Mass	332.396
Monoisotopic Mass	332.16237
SMILES	[H][C@@]12CC[C@@H]3C[C@]1([C@H](O)C3=C)[C@@H](C(=O)O)[C@@]1([H])[C@@]23CCC[C@@]1(C)C(=O)O3
InChI	InChI=1S/C19H24O5/c1-9-10-4-5-11-18(8-10,14(9)20)12(15(21)22)13-17(2)6-3-7-19(11,13)24-16(17)23/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18-,19-/m1/s1
InChIKey	MBNDVMTZEKAWKP-CFHXUCNZSA-N

Species of Metabolite	Component	Source	Comments
Pyrus communis (ncbitaxon:23211)	-	PubMed (24232845)

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 A₄₅ (CHEBI:142003) is a C₁₉-gibberellin (CHEBI:20858)
	gibberellin A₄₅ (CHEBI:142003) is a gibberellin monocarboxylic acid (CHEBI:38305)
	gibberellin A₄₅ (CHEBI:142003) is a lactone (CHEBI:25000)

IUPAC Names
(1R,4aR,4bR,7R,9R,9aR,10S,10aR)-9-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
9β-hydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibbane-10β-carboxylic acid

Synonyms	Source
GA₄₅	ChEBI
(1R,4aR,4bR,7R,9R,9aR,10S,10aR)-9-hydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid	IUPAC
ent-10,15α-dihydroxy-20-norgibberell-16-ene-7,19-dioic acid 19,10-lactone	ChEBI

Registry Numbers	Sources
Reaxys:5127767	Reaxys

Citations