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

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ChEBI Name (24S)-hydroxycholesterol 24-sulfate
ChEBI ID CHEBI:137385
ChEBI ASCII Name (24S)-hydroxycholesterol 24-sulfate
Definition A steroid sulfate that is (24S)-24-hydroxycholesterol carrying a single sulfo substituent at the O-24 position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46O5S
Net Charge 0
Average Mass 482.718
Monoisotopic Mass 482.30660
InChI InChI=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
InChIKey ZNASARDBUYPQRC-XWXSNNQWSA-N
SMILES [C@@]12([C@]3([C@](CC[C@@]1([C@@]4(C(C[C@H](CC4)O)=CC2)C)[H])([C@](CC3)([C@H](C)CC[C@@H](C(C)C)OS(O)(=O)=O)[H])C)[H])[H]
ChEBI Ontology
Outgoing (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 (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-sulfate ChEBI
Citation Waiting for Citations Type Source
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Last Modified
17 January 2023