CHEBI:50109 - 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate

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ChEBI Name 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate
ChEBI ID CHEBI:50109
ChEBI ASCII Name 3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl sulfate
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H42O7S
Net Charge 0
Average Mass 474.65208
Monoisotopic Mass 474.26512
InChI InChI=1S/C24H42O7S/c1-14(5-4-10-31-32(28,29)30)17-6-7-18-22-19(13-21(27)24(17,18)3)23(2)9-8-16(25)11-15(23)12-20(22)26/h14-22,25-27H,4-13H2,1-3H3,(H,28,29,30)/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
InChIKey BKZKSSHAWFCVDU-JLIFGLSWSA-N
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@]1([H])[C@H](O)C2)[C@H](C)CCCOS(O)(=O)=O
ChEBI Ontology
Outgoing 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate (CHEBI:50109) has functional parent 5α-cholane-3α,7α,12α,24-tetrol (CHEBI:50108)
3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate (CHEBI:50109) is a steroid sulfate (CHEBI:16158)
3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate (CHEBI:50109) is conjugate acid of 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate(1−) (CHEBI:58809)
Incoming 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate(1−) (CHEBI:58809) is conjugate base of 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate (CHEBI:50109)
IUPAC Name
3α,7α,12α-trihydroxy-5α-cholan-24-yl hydrogen sulfate
Synonyms Sources
5alpha-Cholan-3alpha,7alpha,12alpha-triol 24-sulfate KEGG COMPOUND
Petromyzonol 24-sulfate KEGG COMPOUND
Manual Xref Database
C16259 KEGG COMPOUND
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Registry Number Type Source
9677191 Beilstein Registry Number Beilstein
Last Modified
05 June 2008