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CHEBI:77920 - (24S)-24-hydroxycholesterol 3-hexanoate

ChEBI IDCHEBI:77920
ChEBI Name(24S)-24-hydroxycholesterol 3-hexanoate
Stars
ASCII Name(24S)-24-hydroxycholesterol 3-hexanoate
DefinitionA sterol ester that is the 3-hexanoyl derivative of (24S)-24-hydroxycholesterol.
Last Modified24 April 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC33H56O3
Net Charge0
Average Mass500.808
Monoisotopic Mass500.42295
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)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/C33H56O3/c1-7-8-9-10-31(35)36-25-17-19-32(5)24(21-25)12-13-26-28-15-14-27(33(28,6)20-18-29(26)32)23(4)11-16-30(34)22(2)3/h12,22-23,25-30,34H,7-11,13-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,30+,32+,33-/m1/s1
InChIKeyVJYLVZFVZXDJMM-YOQXXPLWSA-N
ChEBI Ontology
Outgoing Relation(s)
(24S)-24-hydroxycholesterol 3-hexanoate (CHEBI:77920) is a (24S)-24-hydroxycholesterol ester (CHEBI:82869)
(24S)-24-hydroxycholesterol 3-hexanoate (CHEBI:77920) is a hexanoate ester (CHEBI:87656)
IUPAC Name 
(24S)-24-hydroxycholest-5-en-3β-yl hexanoate
Synonym  Source
(3β,24S)-24-hydroxycholest-5-en-3-yl hexanoateIUPAC
UniProt Name  Source
(24S)-hydroxycholesterol 3-hexanoateUniProt
Citations