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CHEBI:35419 - 26-hydroxycholesterol 3-sulfate

ChEBI IDCHEBI:35419
ChEBI Name26-hydroxycholesterol 3-sulfate
Stars
Last Modified26 March 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H46O5S
Net Charge0
Average Mass482.727
Monoisotopic Mass482.30660
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)CO
InChIInChI=1S/C27H46O5S/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(32-33(29,30)31)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28H,5-7,9-17H2,1-4H3,(H,29,30,31)/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyQCSROMOVNFYJNF-CCDZVGGQSA-N
ChEBI Ontology
Outgoing Relation(s)
26-hydroxycholesterol 3-sulfate (CHEBI:35419) has functional parent 26-hydroxycholesterol (CHEBI:17703)
26-hydroxycholesterol 3-sulfate (CHEBI:35419) is a steroid sulfate (CHEBI:16158)
IUPAC Name 
26-hydroxycholest-5-en-3β-yl hydrogen sulfate