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CHEBI:45487 - 13-cis-retinal

ChEBI IDCHEBI:45487
ChEBI Name13-cis-retinal
Stars
ASCII Name13-cis-retinal
DefinitionA retinal in which the double bond α- to the aldehyde group has cis configuration, whilst the remaining acyclic double bonds have trans configuration.
Last Modified6 January 2016
DownloadsMolfile
FormulaC20H28O
Net Charge0
Average Mass284.443
Monoisotopic Mass284.21402
SMILES[H]C(=O)/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChIInChI=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-
InChIKeyNCYCYZXNIZJOKI-HWCYFHEPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
13-cis-retinal (CHEBI:45487) has role human metabolite (CHEBI:77746)
13-cis-retinal (CHEBI:45487) is a retinal (CHEBI:15035)
IUPAC Name 
13-cis-retinal
Synonyms  Source
(13cis)-retinalChEBI
13-cis-retinaldehydeChemIDplus
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenalIUPAC
RETINALPDBeChem
UniProt Name  Source
13-cis-retinalUniProt
Manual XrefsDatabases
CPD-13525MetaCyc
LMPR01090018LIPID MAPS
Registry NumbersSources
Beilstein:1914182Beilstein
CAS:472-86-6ChemIDplus