all-trans-3,4-didehydroretinoic acid (CHEBI:133794)

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ChEBI Name	all-trans-3,4-didehydroretinoic acid

ChEBI ID	CHEBI:133794

ChEBI ASCII Name	all-trans-3,4-didehydroretinoic acid

Definition	A retinoid obtained by 3,4-desaturation of β-ionone ring of all-trans-retinoic acid

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C20H26O2

Net Charge

Average Mass

298.420

Monoisotopic Mass

298.19328

InChI

InChI=1S/C20H26O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6-12,14H,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+

InChIKey

SYESMXTWOAQFET-YCNIQYBTSA-N

SMILES

C1(C)(C)CC=CC(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)C

Roles Classification
Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via vitamin A ) fat-soluble vitamin (role) Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess. (via vitamin A )

ChEBI Ontology
Outgoing	all-trans-3,4-didehydroretinoic acid (CHEBI:133794) has functional parent all-trans-retinoic acid (CHEBI:15367) all-trans-3,4-didehydroretinoic acid (CHEBI:133794) has role human xenobiotic metabolite (CHEBI:76967) all-trans-3,4-didehydroretinoic acid (CHEBI:133794) is a retinoid (CHEBI:26537) all-trans-3,4-didehydroretinoic acid (CHEBI:133794) is a vitamin A (CHEBI:12777)

Synonyms	Sources
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenoic acid	IUPAC
3,4-didehydroretinoic acid	ChemIDplus
3-dehydroretinoic acid	ChemIDplus
all-trans-3,4-didehydro-retinoic acid	LIPID MAPS
didehydroretinoic acid	ChEBI
Ro 8-7057	ChemIDplus
vitamin A2 acid	ChemIDplus

Last Modified

28 July 2021