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

284.43572

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

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.

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)

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) vitamin A (CHEBI:12777) has part 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

27 January 2016