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CHEBI:194336 - 25-hydroxyvitamin D3 sulfate(1−)

ChEBI IDCHEBI:194336
ChEBI Name25-hydroxyvitamin D3 sulfate(1−)
Stars
ASCII Name25-hydroxyvitamin D3 sulfate(1-)
DefinitionA steroid sulfate oxoanion that is the conjugate base of 25-hydroxyvitamin D3 sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC27H43O5S
Net Charge-1
Average Mass479.703
Monoisotopic Mass479.28367
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](OS(=O)(=O)[O-])CCC1=C
InChIInChI=1S/C27H44O5S/c1-19-10-13-23(32-33(29,30)31)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)28/h11-12,20,23-25,28H,1,6-10,13-18H2,2-5H3,(H,29,30,31)/p-1/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
InChIKeyABCWYYHMKLOVPI-DTOXIADCSA-M
ChEBI Ontology
Outgoing Relation(s)
25-hydroxyvitamin D3 sulfate(1−) (CHEBI:194336) is a steroid sulfate oxoanion (CHEBI:59696)
Synonym  Source
calcidiol 3-sulfateSUBMITTER
UniProt Name  Source
25-hydroxyvitamin D3 sulfateUniProt