(S)-2-trans-abscisic acid (CHEBI:18743)

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CHEBI:18743 - (S)-2-trans-abscisic acid

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ChEBI ID	CHEBI:18743
ChEBI Name	(S)-2-trans-abscisic acid
Stars
ASCII Name	(S)-2-trans-abscisic acid
Definition	A 2-trans-abscisic acid with (S)-configuration at the chiral centre.
Last Modified	24 June 2011
Downloads	Molfile

Formula	C15H20O4
Net Charge	0
Average Mass	264.321
Monoisotopic Mass	264.13616
SMILES	CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C(=O)O
InChI	InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+/t15-/m1/s1
InChIKey	JLIDBLDQVAYHNE-IBPUIESWSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	(S)-2-trans-abscisic acid (CHEBI:18743) is a 2-trans-abscisic acid (CHEBI:62426)
	(S)-2-trans-abscisic acid (CHEBI:18743) is conjugate acid of (S)-2-trans-abscisate (CHEBI:62421)
	(S)-2-trans-abscisic acid (CHEBI:18743) is enantiomer of (R)-2-trans-abscisic acid (CHEBI:18657)
Incoming Relation(s)
	(S)-2-trans-abscisic acid D-glucopyranosyl ester (CHEBI:62438) has functional parent (S)-2-trans-abscisic acid (CHEBI:18743)
	(S)-2-trans-abscisic acid β-D-glucopyranosyl ester (CHEBI:62437) has functional parent (S)-2-trans-abscisic acid (CHEBI:18743)
	(S)-2-trans-abscisate (CHEBI:62421) is conjugate base of (S)-2-trans-abscisic acid (CHEBI:18743)
	(R)-2-trans-abscisic acid (CHEBI:18657) is enantiomer of (S)-2-trans-abscisic acid (CHEBI:18743)

IUPAC Name
(2E,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

Synonyms	Source
(S)-2-trans-abscisic acid	ChEBI
(7E,9E)-(6S)-6-hydroxy-3-oxo-11-apo-ε-caroten-11-oic acid	JCBN
2-trans-(+)-ABA	ChEBI

Manual Xrefs	Databases
LMPR0103050001	LIPID MAPS

Registry Numbers	Sources
Reaxys:3034278	Reaxys

Citations