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CHEBI:133699 - 21-hydroxypregnenolone disulfate(2−)

ChEBI IDCHEBI:133699
ChEBI Name21-hydroxypregnenolone disulfate(2−)
Stars
ASCII Name21-hydroxypregnenolone disulfate(2-)
DefinitionA 21-hydroxypregnenolone disulfate anion obtained by deprotonation of both sulfate groups of 21-hydroxypregnenolone disulfate.
Last Modified10 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC21H30O9S2
Net Charge-2
Average Mass490.596
Monoisotopic Mass490.13422
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(=O)COS(=O)(=O)[O-]
InChIInChI=1S/C21H32O9S2/c1-20-9-7-14(30-32(26,27)28)11-13(20)3-4-15-16-5-6-18(19(22)12-29-31(23,24)25)21(16,2)10-8-17(15)20/h3,14-18H,4-12H2,1-2H3,(H,23,24,25)(H,26,27,28)/p-2/t14-,15-,16-,17-,18+,20-,21-/m0/s1
InChIKeyCBOVWLYQUCVTFA-WPWXJNKXSA-L
ChEBI Ontology
Outgoing Relation(s)
21-hydroxypregnenolone disulfate(2−) (CHEBI:133699) is a 21-hydroxypregnenolone disulfate anion (CHEBI:133698)
21-hydroxypregnenolone disulfate(2−) (CHEBI:133699) is conjugate base of 21-hydroxypregnenolone disulfate (CHEBI:133695)
Incoming Relation(s)
21-hydroxypregnenolone disulfate (CHEBI:133695) is conjugate acid of 21-hydroxypregnenolone disulfate(2−) (CHEBI:133699)
IUPAC Name 
20-oxopregn-5-ene-3β,21-diyl disulfate
Synonym  Source
(3β)-20-oxopregn-5-ene-3,21-diyl disulfateIUPAC