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CHEBI:46902 - cholesteryl elaidate

ChEBI IDCHEBI:46902
ChEBI Namecholesteryl elaidate
Stars
Last Modified17 October 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC45H78O2
Net Charge0
Average Mass651.117
Monoisotopic Mass650.60018
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCC/C=C/CCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C45H78O2/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/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14+/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKeyRJECHNNFRHZQKU-WYIFMRBMSA-N
ChEBI Ontology
Outgoing Relation(s)
cholesteryl elaidate (CHEBI:46902) has functional parent elaidic acid (CHEBI:27997)
cholesteryl elaidate (CHEBI:46902) is a cholesteryl octadec-9-enoate (CHEBI:46900)
IUPAC Name 
(3β)-cholest-5-en-3-yl (9E)-octadec-9-enoate
Registry NumbersSources
Beilstein:3229821Beilstein