CHEBI:70761 - all-trans-retinyl stearate

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ChEBI Name all-trans-retinyl stearate ChEBI ID CHEBI:70761 ChEBI ASCII Name all-trans-retinyl stearate Definition A fatty acid ester formed between stearic acid and all-trans-retinol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C38H64O2 Net Charge 0 Average Mass 552.91360 Monoisotopic Mass 552.49063 InChI InChI=1S/C38H64O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h22,24-25,28-30H,7-21,23,26-27,31-32H2,1-6H3/b25-22+,29-28+,33-24+,34-30+ InChIKey YNGACJMSLZMZOX-FPFNAQAWSA-N SMILES CCCCCCCCCCCCCCCCCC(=O)OC\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C ChEBI Ontology Outgoing all-trans-retinyl stearate (CHEBI:70761) has functional parent all-trans-retinol (CHEBI:17336) all-trans-retinyl stearate (CHEBI:70761) has functional parent octadecanoic acid (CHEBI:28842) all-trans-retinyl stearate (CHEBI:70761) is a fatty acid ester (CHEBI:35748) IUPAC Name (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl octadecanoate Synonyms Sources (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl stearate IUPAC all-trans-retinyl octadecanoate UniProt O-stearoyl-all-trans-retinol ChEBI O15-stearoylretinol ChEBI retinol, 15-octadecanoate ChEBI retinol, octadeanoate ChEBI Retinyl stearate ChemIDplus stearic acid, ester with retinol ChEBI Vitamin A stearate ChemIDplus Registry Numbers Types Sources 3180538 Reaxys Registry Number Reaxys 631-87-8 CAS Registry Number ChemIDplus Citations Types Sources 11137448 PubMed citation Europe PMC 19060591 PubMed citation Europe PMC 1971545 PubMed citation Europe PMC 20205613 PubMed citation Europe PMC 20857095 PubMed citation Europe PMC 21043991 PubMed citation Europe PMC 2123592 PubMed citation Europe PMC 2746165 PubMed citation Europe PMC 3240708 PubMed citation Europe PMC 3384577 PubMed citation Europe PMC 3954319 PubMed citation Europe PMC 6478452 PubMed citation Europe PMC 6885309 PubMed citation Europe PMC 8157860 PubMed citation Europe PMC 8641198 PubMed citation Europe PMC 9920938 PubMed citation Europe PMC Last Modified 24 January 2019