CHEBI:58809 - 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate(1−)
ChEBI ID CHEBI:58809
ChEBI ASCII Name 3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl sulfate(1-)
Definition Conjjugate base of 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H41O7S
Net Charge -1
Average Mass 473.64300
Monoisotopic Mass 473.25785
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)/p-1/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
InChIKey BKZKSSHAWFCVDU-JLIFGLSWSA-M
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(1−) (CHEBI:58809) is a steroid sulfate oxoanion (CHEBI:59696)
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)
Incoming 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)
IUPAC Name
3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate
Synonyms Sources
3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate UniProt
3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate anion ChEBI
Registry Number Type Source
11197773 Beilstein Registry Number Beilstein
Last Modified
22 September 2016