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CHEBI:233863 - 25-hydroxycholesterol sulfate

ChEBI IDCHEBI:233863
ChEBI Name25-hydroxycholesterol sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O5S
Net Charge0
Average Mass482.727
Monoisotopic Mass482.30660
SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C27H46O5S/c1-18(7-6-14-25(2,3)28)22-10-11-23-21-9-8-19-17-20(32-33(29,30)31)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28H,6-7,9-17H2,1-5H3,(H,29,30,31)/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyPIUZYOCNZPYXOA-ZHHJOTBYSA-N
ChEBI Ontology
Outgoing Relation(s)
25-hydroxycholesterol sulfate (CHEBI:233863) is a cholestanoid (CHEBI:50401)
IUPAC Name 
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulate
Manual XrefsDatabases
DB18079DrugBank
9758645ChemSpider
Registry NumbersSources
CAS:884905-07-1ChemIDplus