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

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ChEBI Name all-trans-3,4-didehydroretinol
ChEBI ID CHEBI:132246
ChEBI ASCII Name all-trans-3,4-didehydroretinol
Definition A retinoid derived from 3,4-desaturation of the β-ionone ring of all-trans-retinol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C20H28O
Net Charge 0
Average Mass 284.436
Monoisotopic Mass 284.21402
InChI InChI=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+
InChIKey XWCYDHJOKKGVHC-OVSJKPMPSA-N
SMILES C1(C)(C)C(\C=C\C(=C\C=C\C(=C\CO)\C)\C)=C(C)C=CC1
Metabolite of Species Details
Danio rerio (NCBI:txid7955) See: PubMed
Perca flavescens (NCBI:txid8167) See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): 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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via vitamin A )
fat-soluble vitamin
Vitamins like A, D, E and K that dissolve in fats and are stored in body tissues. Unlike the water-soluble vitamins, these are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via vitamin A )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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) is a retinoid (CHEBI:26537)
all-trans-3,4-didehydroretinol (CHEBI:132246) is a vitamin A (CHEBI:12777)
Incoming 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 Sources
3,4-Didehydro-all-trans-retinol ChemIDplus
3,4-didehydro-retinol LIPID MAPS
3-Dehydoretinol ChemIDplus
all-trans-3,4-didehydroretinol UniProt
all-trans-3-Dehydroretinol HMDB
Dehydroretinol ChemIDplus
vitamin A2 SUBMITTER
Manual Xref Database
HMDB0013117 HMDB
View more database links
Registry Numbers Types Sources
1881707 Reaxys Registry Number Reaxys
79-80-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19043141 PubMed citation Europe PMC
22959581 PubMed citation Europe PMC
26549260 PubMed citation SUBMITTER
27059013 PubMed citation SUBMITTER
9080660 PubMed citation Europe PMC
Last Modified
02 October 2018