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	ChemicalBook:CB5157644, ChemicalBook:CB52652538, ChemicalBook:CB12630479, eMolecules:29542786, ZINC000001853550

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