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

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ChEBI Name all-trans-3,4-didehydroretinoic acid
ChEBI ID CHEBI:133794
ChEBI ASCII Name all-trans-3,4-didehydroretinoic acid
Definition A retinoid obtained by 3,4-desaturation of β-ionone ring of all-trans-retinoic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H26O2
Net Charge 0
Average Mass 298.420
Monoisotopic Mass 298.19328
InChI InChI=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+
InChIKey SYESMXTWOAQFET-YCNIQYBTSA-N
SMILES C1(C)(C)CC=CC(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)C
Metabolite of Species Details
Xenopus laevis (NCBI:txid8355) 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.
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-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 Sources
3,4-didehydroretinoic acid ChEBI
All-Trans-3,4-Didehydro-Retinoic acid LIPID MAPS
didehydroretinoic acid ChEBI
Vitamin A2 acid ChemIDplus
Manual Xref Database
LMPR01090020 LIPID MAPS
View more database links
Registry Numbers Types Sources
2136797 Reaxys Registry Number Reaxys
4159-20-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
18 October 2016