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CHEBI:63820 - (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid

ChEBI IDCHEBI:63820
ChEBI Name(24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid
Stars
ASCII Name(24S)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
Definition3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid with S configuration at C-24.
Last Modified6 February 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H46O6
Net Charge0
Average Mass466.659
Monoisotopic Mass466.32944
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)CC[C@H](O)C(C)C(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16+,17-,18-,19+,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyFAYYTQMQTAKHRM-ASDSSCPRSA-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:
bile acid metabolite  Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
ChEBI Ontology
Outgoing Relation(s)
(24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:63820) is a 3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742)
(24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:63820) is conjugate acid of (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oate (CHEBI:63824)
Incoming Relation(s)
(24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oate (CHEBI:63824) is conjugate base of (24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:63820)
IUPAC Name 
(24S)-3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid
Synonym  Source
tetraHCAChEBI