CHEBI:46903 - cholesteryl octadeca-9,12-dienoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cholesteryl octadeca-9,12-dienoate
ChEBI ID CHEBI:46903
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C45H76O2
Net Charge 0
Average Mass 649.08374
Monoisotopic Mass 648.58453
InChI InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKey NAACPBBQTFFYQB-XNTGVSEISA-N
SMILES [H]C(CCCCC)=C([H])CC([H])=C([H])CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(C1)=CC[C@]1([H])[C@]2([H])CC[C@]2(C)[C@]([H])(CC[C@@]12[H])[C@H](C)CCCC(C)C
ChEBI Ontology
Outgoing cholesteryl octadeca-9,12-dienoate (CHEBI:46903) is a cholesteryl octadecadienoate (CHEBI:132002)
Incoming cholesteryl linoleate (CHEBI:41509) is a cholesteryl octadeca-9,12-dienoate (CHEBI:46903)
IUPAC Name
(3β)-cholest-5-en-3-yl octadeca-9,12-dienoate
Registry Number Type Source
5784793 Beilstein Registry Number Beilstein
Last Modified
23 May 2016