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CHEBI:48938 - (25S)-5β-cholestane-3α,7α,12α,26-tetrol

ChEBI IDCHEBI:48938
ChEBI Name(25S)-5β-cholestane-3α,7α,12α,26-tetrol
Stars
ASCII Name(25S)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol
Last Modified26 March 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H48O4
Net Charge0
Average Mass436.677
Monoisotopic Mass436.35526
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC[C@H](C)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16-,17+,18-,19+,20+,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKeyXJZGNVBLVFOSKJ-SFQJQOGLSA-N
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(25S)-5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:48938) is a 5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:17278)
IUPAC Name 
(25S)-5β-cholestane-3α,7α,12α,26-tetrol
Registry NumbersSources
Beilstein:6068471Beilstein