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CHEBI:136567 - (24S)-hydroxycholesterol 3-sulfate(1−)

Default Structure
ChEBI IDCHEBI:136567
ChEBI Name(24S)-hydroxycholesterol 3-sulfate(1−)
Stars
ASCII Name(24S)-hydroxycholesterol 3-sulfate(1-)
DefinitionA steroid sulfate oxoanion obtained by deprotonation of the sulfo group of (24S)-hydroxycholesterol 3-sulfate.
Last Modified9 June 2017
Submitternhn
DownloadsMolfile
FormulaC27H45O5S
Net Charge-1
Average Mass481.719
Monoisotopic Mass481.29932
SMILES[H][C@@]12CC=C3C[C@@H](OS(=O)(=O)[O-])CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@H](O)C(C)C
InChIInChI=1S/C27H46O5S/c1-17(2)25(28)11-6-18(3)22-9-10-23-21-8-7-19-16-20(32-33(29,30)31)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28H,6,8-16H2,1-5H3,(H,29,30,31)/p-1/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
InChIKeyUZRYBCGKNZOEMQ-XWXSNNQWSA-M
ChEBI Ontology
Outgoing Relation(s)
(24S)-hydroxycholesterol 3-sulfate(1−) (CHEBI:136567) is a cholestane conjugate (CHEBI:167105)
(24S)-hydroxycholesterol 3-sulfate(1−) (CHEBI:136567) is a steroid sulfate oxoanion (CHEBI:59696)
(24S)-hydroxycholesterol 3-sulfate(1−) (CHEBI:136567) is conjugate base of (24S)-hydroxycholesterol 3-sulfate (CHEBI:137388)
Incoming Relation(s)
(24S)-hydroxycholesterol 3-sulfate (CHEBI:137388) is conjugate acid of (24S)-hydroxycholesterol 3-sulfate(1−) (CHEBI:136567)
IUPAC Name 
(3β,24S)-24-hydroxycholest-5-en-3-yl sulfate
UniProt Name  Source
(24S)-hydroxycholesterol 3-sulfateUniProt
Citations