EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:137388 - (24S)-hydroxycholesterol 3-sulfate

Default Structure
ChEBI IDCHEBI:137388
ChEBI Name(24S)-hydroxycholesterol 3-sulfate
Stars
ASCII Name(24S)-hydroxycholesterol 3-sulfate
DefinitionA steroid sulfate that is (24S)-24-hydroxycholesterol carrying a single sulfo substituent at the O-3 position.
Last Modified9 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC27H46O5S
Net Charge0
Average Mass482.727
Monoisotopic Mass482.30660
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)/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
InChIKeyUZRYBCGKNZOEMQ-XWXSNNQWSA-N
ChEBI Ontology
Outgoing Relation(s)
(24S)-hydroxycholesterol 3-sulfate (CHEBI:137388) has functional parent (24S)-24-hydroxycholesterol (CHEBI:34310)
(24S)-hydroxycholesterol 3-sulfate (CHEBI:137388) is a 24-hydroxy steroid (CHEBI:36865)
(24S)-hydroxycholesterol 3-sulfate (CHEBI:137388) is a steroid sulfate (CHEBI:16158)
(24S)-hydroxycholesterol 3-sulfate (CHEBI:137388) is conjugate acid of (24S)-hydroxycholesterol 3-sulfate(1−) (CHEBI:136567)
Incoming Relation(s)
(24S)-hydroxycholesterol 3-sulfate(1−) (CHEBI:136567) is conjugate base of (24S)-hydroxycholesterol 3-sulfate (CHEBI:137388)
IUPAC Name 
(3β,24S)-24-hydroxycholest-5-en-3-yl hydrogen sulfate
Synonym  Source
24-OHChol-3-sulfateChEBI
Citations