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CHEBI:133794 - all-trans-3,4-didehydroretinoic acid

ChEBI IDCHEBI:133794
ChEBI Nameall-trans-3,4-didehydroretinoic acid
Stars
ASCII Nameall-trans-3,4-didehydroretinoic acid
DefinitionA retinoid obtained by 3,4-desaturation of β-ionone ring of all-trans-retinoic acid
Last Modified28 July 2021
SubmitterSteve
DownloadsMolfile
FormulaC20H26O2
Net Charge0
Average Mass298.426
Monoisotopic Mass298.19328
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC=C1
InChIInChI=1S/C20H26O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6-12,14H,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
InChIKeySYESMXTWOAQFET-YCNIQYBTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (24925226)
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.
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-didehydroretinoic acid (CHEBI:133794) has functional parent all-trans-retinoic acid (CHEBI:15367)
all-trans-3,4-didehydroretinoic acid (CHEBI:133794) has role human xenobiotic metabolite (CHEBI:76967)
all-trans-3,4-didehydroretinoic acid (CHEBI:133794) is a retinoid (CHEBI:26537)
all-trans-3,4-didehydroretinoic acid (CHEBI:133794) is a vitamin A (CHEBI:12777)
Synonyms  Source
3,4-didehydroretinoic acidChemIDplus
didehydroretinoic acidChEBI
vitamin A2 acidChemIDplus
all-trans-3,4-didehydro-retinoic acidLIPID MAPS
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenoic acidIUPAC
Ro 8-7057ChemIDplus
Manual XrefsDatabases
LMPR01090020LIPID MAPS
HMDB0060092HMDB
394417ChemSpider
Registry NumbersSources
Reaxys:2136797Reaxys
CAS:4159-20-0ChemIDplus
Citations