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CHEBI:82875 - (24S)-24-hydroxycholesterol 3-linoleoate

ChEBI IDCHEBI:82875
ChEBI Name(24S)-24-hydroxycholesterol 3-linoleoate
Stars
ASCII Name(24S)-24-hydroxycholesterol 3-linoleoate
DefinitionA sterol ester that is the 3-linoleoyl derivative of (24S)-24-hydroxycholesterol.
Last Modified12 November 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC45H76O3
Net Charge0
Average Mass665.100
Monoisotopic Mass664.57945
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@H](O)C(C)C
InChIInChI=1S/C45H76O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-43(47)48-37-29-31-44(5)36(33-37)24-25-38-40-27-26-39(45(40,6)32-30-41(38)44)35(4)23-28-42(46)34(2)3/h11-12,14-15,24,34-35,37-42,46H,7-10,13,16-23,25-33H2,1-6H3/b12-11-,15-14-/t35-,37+,38+,39-,40+,41+,42+,44+,45-/m1/s1
InChIKeyMATQTXQZPPLBEJ-KTBYLDBTSA-N
ChEBI Ontology
Outgoing Relation(s)
(24S)-24-hydroxycholesterol 3-linoleoate (CHEBI:82875) has functional parent linoleic acid (CHEBI:17351)
(24S)-24-hydroxycholesterol 3-linoleoate (CHEBI:82875) is a 24-hydroxy steroid (CHEBI:36865)
(24S)-24-hydroxycholesterol 3-linoleoate (CHEBI:82875) is a sterol ester (CHEBI:35915)
IUPAC Name 
(24S)-24-hydroxycholest-5-en-3β-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonym  Source
(24S)-hydroxycholesteryl 3-linoleoateChEBI
UniProt Name  Source
(24S)-hydroxycholesterol 3-linoleoateUniProt
Citations