all-trans-retinal (CHEBI:17898)

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ChEBI Name	all-trans-retinal

ChEBI ID	CHEBI:17898

ChEBI ASCII Name	all-trans-retinal

Definition	A retinal in which all four exocyclic double bonds have E- (trans-) geometry.

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

Secondary ChEBI IDs	CHEBI:8814, CHEBI:22348, CHEBI:12776

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Formula

C20H28O

Net Charge

Average Mass

284.443

Monoisotopic Mass

284.21402

InChI

InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

InChIKey

NCYCYZXNIZJOKI-OVSJKPMPSA-N

SMILES

[H]C(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI
Homo sapiens (NCBI:txid9606)	Found in blood (UBERON:0000178). See: Geigy Scientific Tables, 8th Rev edition, pp. 165-177. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via retinal ) mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). gap junctional intercellular communication inhibitor An inhibitor that interferes with the process of gap junctional intercellular communication. 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-retinal (CHEBI:17898) has role gap junctional intercellular communication inhibitor (CHEBI:67195) all-trans-retinal (CHEBI:17898) has role human metabolite (CHEBI:77746) all-trans-retinal (CHEBI:17898) has role mouse metabolite (CHEBI:75771) all-trans-retinal (CHEBI:17898) is a retinal (CHEBI:15035) all-trans-retinal (CHEBI:17898) is a vitamin A (CHEBI:12777)

Incoming	(3R)-all-trans-3-hydroxyretinal (CHEBI:52228) has functional parent all-trans-retinal (CHEBI:17898) (3S)-all-trans-3-hydroxyretinal (CHEBI:52229) has functional parent all-trans-retinal (CHEBI:17898) all-trans-4-hydroxyretinal (CHEBI:139346) has functional parent all-trans-retinal (CHEBI:17898) all-trans-4-oxoretinal (CHEBI:139347) has functional parent all-trans-retinal (CHEBI:17898) N-retinylidenephosphatidylethanolamine (CHEBI:71063) has functional parent all-trans-retinal (CHEBI:17898)

IUPAC Name

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal

Last Modified

28 July 2021