CHEBI:46902 - cholesteryl elaidate

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ChEBI Name cholesteryl elaidate
ChEBI ID CHEBI:46902
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C45H78O2
Net Charge 0
Average Mass 651.09962
Monoisotopic Mass 650.60018
InChI InChI=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
InChIKey RJECHNNFRHZQKU-WYIFMRBMSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C\CCCCCCCC)[C@H](C)CCCC(C)C
ChEBI Ontology
Outgoing 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 Number Type Source
3229821 Beilstein Registry Number Beilstein
Last Modified
17 October 2007