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CHEBI:28537 - all-trans-dehydroretinal

Default Structure
ChEBI IDCHEBI:28537
ChEBI Nameall-trans-dehydroretinal
Stars
ASCII Nameall-trans-dehydroretinal
DefinitionA retinal which contains an additional double bond between the 3 and 4 positions of the six-membered ring, and in which all of the double bonds in the side chain have the E-configuration.
Secondary ChEBI IDsCHEBI:10190, CHEBI:22341
Last Modified21 December 2017
DownloadsMolfile
FormulaC20H26O
Net Charge0
Average Mass282.427
Monoisotopic Mass282.19837
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC=C1
InChIInChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyQHNVWXUULMZJKD-OVSJKPMPSA-N
ChEBI Ontology
Outgoing Relation(s)
all-trans-dehydroretinal (CHEBI:28537) is a retinals (CHEBI:26534)
IUPAC Name 
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal
Synonyms  Source
3,4-DidehydroretinalKEGG COMPOUND
3-DehydroretinalKEGG COMPOUND
3-DehydroretinaldehydeKEGG COMPOUND
(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4,6,8-nonatetraenalKEGG COMPOUND
all-trans-3,4-DehydroretinalKEGG COMPOUND
all-trans-DehydroretinalKEGG COMPOUND
UniProt Name  Source
all-trans-3,4-didehydroretinalUniProt
Manual XrefsDatabases
C05918KEGG COMPOUND
Registry NumbersSources
Reaxys:2055104Reaxys
CAS:472-87-7KEGG COMPOUND