EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:132246 - all-trans-3,4-didehydroretinol

Default Structure
ChEBI IDCHEBI:132246
ChEBI Nameall-trans-3,4-didehydroretinol
Stars
ASCII Nameall-trans-3,4-didehydroretinol
DefinitionA retinoid derived from 3,4-desaturation of the β-ionone ring of all-trans-retinol.
Last Modified28 July 2021
Submitternhn
DownloadsMolfile
FormulaC20H28O
Net Charge0
Average Mass284.443
Monoisotopic Mass284.21402
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CC=C1
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/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyXWCYDHJOKKGVHC-OVSJKPMPSA-N
Species of MetaboliteComponentSourceComments
Danio rerio (ncbitaxon:7955) - PubMed (26549260)
Homo sapiens (ncbitaxon:9606) - PubMed (27059013)
Mus musculus (ncbitaxon:10090) - PubMed (3390455)
Perca flavescens (ncbitaxon:8167) - PubMed (22959581)
Xenopus laevis (ncbitaxon:8355) - PubMed (7720529)
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
all-trans-3,4-didehydroretinol (CHEBI:132246) has functional parent all-trans-retinol (CHEBI:17336)
all-trans-3,4-didehydroretinol (CHEBI:132246) has role human xenobiotic metabolite (CHEBI:76967)
all-trans-3,4-didehydroretinol (CHEBI:132246) has role marine xenobiotic metabolite (CHEBI:83399)
all-trans-3,4-didehydroretinol (CHEBI:132246) has role mouse metabolite (CHEBI:75771)
all-trans-3,4-didehydroretinol (CHEBI:132246) is a retinoid (CHEBI:26537)
all-trans-3,4-didehydroretinol (CHEBI:132246) is a vitamin A (CHEBI:12777)
Incoming Relation(s)
all-trans-3,4-didehydro-13,14-dihydroretinol (CHEBI:142226) has functional parent all-trans-3,4-didehydroretinol (CHEBI:132246)
IUPAC Name 
3,4-didehydroretinol
Synonyms  Source
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraen-1-olIUPAC
3,4-didehydro-all-trans-retinolChemIDplus
3,4-didehydro-retinolLIPID MAPS
3-dehydoretinolChemIDplus
all-trans-3-DehydroretinolHMDB
dehydroretinolChemIDplus
UniProt Name  Source
all-trans-3,4-didehydroretinolUniProt
Manual XrefsDatabases
4940721ChemSpider
C21797KEGG COMPOUND
CPD-20073MetaCyc
FDB013830FooDB
HMDB0013117HMDB
LMPR01090008LIPID MAPS
Registry NumbersSources
Reaxys:1881707Reaxys
CAS:79-80-1ChemIDplus
Citations