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CHEBI:137389 - (24S)-hydroxycholesterol 3,24-disulfate

ChEBI IDCHEBI:137389
ChEBI Name(24S)-hydroxycholesterol 3,24-disulfate
Stars
ASCII Name(24S)-hydroxycholesterol 3,24-disulfate
DefinitionA steroid sulfate that is (24S)-24-hydroxycholesterol in which both hydroxy hydrogens have been replaced by sulfo groups.
Last Modified9 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC27H46O8S2
Net Charge0
Average Mass562.791
Monoisotopic Mass562.26341
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](OS(=O)(=O)O)C(C)C
InChIInChI=1S/C27H46O8S2/c1-17(2)25(35-37(31,32)33)11-6-18(3)22-9-10-23-21-8-7-19-16-20(34-36(28,29)30)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25H,6,8-16H2,1-5H3,(H,28,29,30)(H,31,32,33)/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
InChIKeyASFDNKQCXMJFKH-XWXSNNQWSA-N
ChEBI Ontology
Outgoing Relation(s)
(24S)-hydroxycholesterol 3,24-disulfate (CHEBI:137389) has functional parent (24S)-24-hydroxycholesterol (CHEBI:34310)
(24S)-hydroxycholesterol 3,24-disulfate (CHEBI:137389) is a steroid sulfate (CHEBI:16158)
(24S)-hydroxycholesterol 3,24-disulfate (CHEBI:137389) is conjugate acid of (24S)-hydroxycholesterol 3,24-disulfate(2−) (CHEBI:136568)
Incoming Relation(s)
(24S)-hydroxycholesterol 3,24-disulfate(2−) (CHEBI:136568) is conjugate base of (24S)-hydroxycholesterol 3,24-disulfate (CHEBI:137389)
IUPAC Names 
24-OHChol-3,24-disulfate
(3β,24S)-cholest-5-ene-3,24-diyl bis(hydrogen sulfate)
Citations