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CHEBI:83860 - (25S)-26-hydroxycholest-4-en-3-one

ChEBI IDCHEBI:83860
ChEBI Name(25S)-26-hydroxycholest-4-en-3-one
Stars
ASCII Name(25S)-26-hydroxycholest-4-en-3-one
DefinitionA 26-hydroxycholest-4-en-3-one in which the 25-position has S-configuration.
Last Modified21 March 2017
Submitternhn
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC[C@H](C)CO
InChIInChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16,18-19,22-25,28H,5-15,17H2,1-4H3/t18-,19+,22-,23+,24-,25-,26-,27+/m0/s1
InChIKeyCXUORUGFOXGJNY-NYJSJAOLSA-N
ChEBI Ontology
Outgoing Relation(s)
(25S)-26-hydroxycholest-4-en-3-one (CHEBI:83860) is a 26-hydroxycholest-4-en-3-one (CHEBI:63640)
IUPAC Name 
(25S)-26-hydroxycholest-4-en-3-one
UniProt Name  Source
(25S)-3-oxocholest-4-en-26-olUniProt
Registry NumbersSources
Reaxys:6584622Reaxys
Citations