EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:78273 - 9-cis-retinal

ChEBI IDCHEBI:78273
ChEBI Name9-cis-retinal
Stars
ASCII Name9-cis-retinal
DefinitionA retinal in which the double bond at position 9 has cis configuration, whilst the remaining acyclic double bonds have trans configuration.
Last Modified10 August 2015
SubmitterBijay
DownloadsMolfile
FormulaC20H28O
Net Charge0
Average Mass284.443
Monoisotopic Mass284.21402
SMILESCC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=O)C(C)(C)CCC1
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-MKOSUFFBSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
9-cis-retinal (CHEBI:78273) is a retinal (CHEBI:15035)
IUPAC Name 
9-cis-retinal
Synonyms  Source
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenalIUPAC
(9cis)-retinalIUPAC
9-C-retinalChemIDplus
isoretinene AChemIDplus
9-cis-vitamin A aldehydeChemIDplus
9-cis-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenalChemIDplus
UniProt Name  Source
9-cis-retinalUniProt
Manual XrefsDatabases
C16681KEGG COMPOUND
LMPR01090017LIPID MAPS
HMDB0006218HMDB
CPD-13536MetaCyc
Registry NumbersSources
Reaxys:1914180Reaxys
CAS:514-85-2ChemIDplus
CAS:514-85-2NIST Chemistry WebBook
Citations