EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:137385 - (24S)-hydroxycholesterol 24-sulfate

ChEBI IDCHEBI:137385
ChEBI Name(24S)-hydroxycholesterol 24-sulfate
Stars
ASCII Name(24S)-hydroxycholesterol 24-sulfate
DefinitionA steroid sulfate that is (24S)-24-hydroxycholesterol carrying a single sulfo substituent at the O-24 position.
Last Modified17 January 2023
SubmitterSteve
DownloadsMolfile
FormulaC27H46O5S
Net Charge0
Average Mass482.727
Monoisotopic Mass482.30660
SMILES[H][C@@]12CC=C3C[C@@H](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](OS(=O)(=O)O)C(C)C
InChIInChI=1S/C27H46O5S/c1-17(2)25(32-33(29,30)31)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)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
InChIKeyZNASARDBUYPQRC-XWXSNNQWSA-N
ChEBI Ontology
Outgoing Relation(s)
(24S)-hydroxycholesterol 24-sulfate (CHEBI:137385) has functional parent (24S)-24-hydroxycholesterol (CHEBI:34310)
(24S)-hydroxycholesterol 24-sulfate (CHEBI:137385) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
(24S)-hydroxycholesterol 24-sulfate (CHEBI:137385) is a steroid sulfate (CHEBI:16158)
(24S)-hydroxycholesterol 24-sulfate (CHEBI:137385) is conjugate acid of (24S)-hydroxycholesterol 24-sulfate(1−) (CHEBI:136566)
Incoming Relation(s)
(24S)-hydroxycholesterol 24-sulfate(1−) (CHEBI:136566) is conjugate base of (24S)-hydroxycholesterol 24-sulfate (CHEBI:137385)
IUPAC Name 
(3β,24S)-3-hydroxycholest-5-en-24-yl hydrogen sulfate
Synonym  Source
24-OHChol-24-sulfateChEBI
Citations