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

ChEBI IDCHEBI:46903
ChEBI Namecholesteryl octadeca-9,12-dienoate
Stars
Last Modified23 May 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC45H76O2
Net Charge0
Average Mass649.101
Monoisotopic Mass648.58453
SMILES[H]C(CCCCC)=C([H])CC([H])=C([H])CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@]32[H])C1
InChIInChI=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
InChIKeyNAACPBBQTFFYQB-XNTGVSEISA-N
ChEBI Ontology
Outgoing Relation(s)
cholesteryl octadeca-9,12-dienoate (CHEBI:46903) is a cholesteryl octadecadienoate (CHEBI:132002)
Incoming Relation(s)
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 NumbersSources
Beilstein:5784793Beilstein