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CHEBI:136579 - cholesterol sulfate(1−)

ChEBI IDCHEBI:136579
ChEBI Namecholesterol sulfate(1−)
Stars
ASCII Namecholesterol sulfate(1-)
DefinitionA steroid sulfate oxoanion obtained by deprotonation of the sulfo group of cholesterol sulfate; major species at pH 7.3.
Last Modified16 June 2017
Submitternhn
DownloadsMolfile
FormulaC27H45O4S
Net Charge-1
Average Mass465.720
Monoisotopic Mass465.30440
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)CCCC(C)C
InChIInChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/p-1/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyBHYOQNUELFTYRT-DPAQBDIFSA-M
ChEBI Ontology
Outgoing Relation(s)
cholesterol sulfate(1−) (CHEBI:136579) is a cholestane conjugate (CHEBI:167105)
cholesterol sulfate(1−) (CHEBI:136579) is a steroid sulfate oxoanion (CHEBI:59696)
cholesterol sulfate(1−) (CHEBI:136579) is conjugate base of cholesterol sulfate (CHEBI:41321)
Incoming Relation(s)
cholesterol sulfate (CHEBI:41321) is conjugate acid of cholesterol sulfate(1−) (CHEBI:136579)
IUPAC Name 
cholest-5-en-3β-yl sulfate
Synonym  Source
(3β)-cholest-5-en-3-yl sulfateIUPAC
UniProt Name  Source
cholesterol sulfateUniProt
Citations