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CHEBI:48941 - (25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-al

ChEBI IDCHEBI:48941
ChEBI Name(25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-al
Stars
ASCII Name(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
DefinitionThe (25S)-diastereomer of 3α,7α,12α-trihydroxy-5β-cholestan-26-al.
Last Modified13 April 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
SMILES[H]C(=O)[C@@H](C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@@]21C
InChIInChI=1S/C27H46O4/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/h15-25,29-31H,5-14H2,1-4H3/t16-,17+,18-,19+,20+,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKeyUSFJGINJGUIFSY-SFQJQOGLSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:48941) is a 3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466)
IUPAC Name 
(25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-al