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CHEBI:48044 - (25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid

ChEBI IDCHEBI:48044
ChEBI Name(25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid
Stars
ASCII Name(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid
Last Modified17 December 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H46O5
Net Charge0
Average Mass450.660
Monoisotopic Mass450.33452
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)C(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16+,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyCNWPIIOQKZNXBB-TVOMGIAASA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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-oic acid (CHEBI:48044) is a 3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid (CHEBI:18402)
IUPAC Name 
(25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid
Synonym  Source
(3α,5β,7α,12α,25S)-3,7,12-trihydroxycholestan-26-oic acidChEBI
Registry NumbersSources
Beilstein:3224558Beilstein