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CHEBI:167167 - 25-hydroxy 3-oxocholestane

ChEBI IDCHEBI:167167
ChEBI Name25-hydroxy 3-oxocholestane
Stars
DefinitionA 25-hydroxy steroid that is 3-oxocholestane which carries a hydroxy group at position 25.
Last Modified22 January 2021
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@@]12CCC3CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)(C)O
InChIInChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h18-19,21-24,29H,6-17H2,1-5H3/t18-,19?,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyAFBVMKBXEPWMLL-HGUAUECJSA-N
ChEBI Ontology
Outgoing Relation(s)
25-hydroxy 3-oxocholestane (CHEBI:167167) has functional parent 3-oxocholestane (CHEBI:167166)
25-hydroxy 3-oxocholestane (CHEBI:167167) is a 25-hydroxy steroid (CHEBI:36864)
25-hydroxy 3-oxocholestane (CHEBI:167167) is a ketocholestane (CHEBI:131643)
IUPAC Name 
25-hydroxycholestan-3-one
Synonym  Source
25-hydroxy 3-ketocholestaneSUBMITTER
UniProt Name  Source
25-hydroxy 3-oxocholestaneUniProt
Citations