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

ChEBI IDCHEBI:58809
ChEBI Name3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate(1−)
Stars
ASCII Name3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl sulfate(1-)
DefinitionConjjugate base of 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate.
Last Modified22 September 2016
DownloadsMolfile
FormulaC24H41O7S
Net Charge-1
Average Mass473.652
Monoisotopic Mass473.25785
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)CCCOS(=O)(=O)[O-])[C@]1([H])[C@H](O)C2
InChIInChI=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
InChIKeyBKZKSSHAWFCVDU-JLIFGLSWSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate anionChEBI
UniProt Name  Source
3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfateUniProt
Registry NumbersSources
Beilstein:11197773Beilstein