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CHEBI:136568 - (24S)-hydroxycholesterol 3,24-disulfate(2−)

ChEBI IDCHEBI:136568
ChEBI Name(24S)-hydroxycholesterol 3,24-disulfate(2−)
Stars
ASCII Name(24S)-hydroxycholesterol 3,24-disulfate(2-)
DefinitionA steroid sulfate oxoanion obtained by deprotonation of the sulfo groups of (24S)-hydroxycholesterol 3,24-disulfate.
Last Modified9 June 2017
Submitternhn
DownloadsMolfile
FormulaC27H44O8S2
Net Charge-2
Average Mass560.775
Monoisotopic Mass560.24886
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)/p-2/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
InChIKeyASFDNKQCXMJFKH-XWXSNNQWSA-L
ChEBI Ontology
Outgoing Relation(s)
(24S)-hydroxycholesterol 3,24-disulfate(2−) (CHEBI:136568) is a cholestane conjugate (CHEBI:167105)
(24S)-hydroxycholesterol 3,24-disulfate(2−) (CHEBI:136568) is a steroid sulfate oxoanion (CHEBI:59696)
(24S)-hydroxycholesterol 3,24-disulfate(2−) (CHEBI:136568) is conjugate base of (24S)-hydroxycholesterol 3,24-disulfate (CHEBI:137389)
Incoming Relation(s)
(24S)-hydroxycholesterol 3,24-disulfate (CHEBI:137389) is conjugate acid of (24S)-hydroxycholesterol 3,24-disulfate(2−) (CHEBI:136568)
IUPAC Name 
(3β,24S)-cholest-5-ene-3,24-diyl disulfate
UniProt Name  Source
(24S)-hydroxycholesterol 3,24-disulfateUniProt
Citations