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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:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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.
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