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CHEBI:133467 - 5α-pregnane-3,20β-diol disulfate(2−)

ChEBI IDCHEBI:133467
ChEBI Name5α-pregnane-3,20β-diol disulfate(2−)
Stars
ASCII Name5alpha-pregnane-3,20beta-diol disulfate(2-)
DefinitionA 5α-pregnane-3,20β-diol disulfate anion obtained by deprotonation of both sulfo groups of 5α-pregnane-3,20β-diol disulfate.
Last Modified28 September 2016
SubmitterSteve
DownloadsMolfile
FormulaC21H34O8S2
Net Charge-2
Average Mass478.629
Monoisotopic Mass478.17061
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](C)OS(=O)(=O)[O-])[C@@]1(C)CCC(OS(=O)(=O)[O-])C2
InChIInChI=1S/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/p-2/t13-,14+,15?,16+,17-,18+,19+,20+,21-/m1/s1
InChIKeyLSQGWMYMIHQKSA-PKGCTGQPSA-L
ChEBI Ontology
Outgoing Relation(s)
5α-pregnane-3,20β-diol disulfate(2−) (CHEBI:133467) is a 5α-pregnane-3,20β-diol disulfate anion (CHEBI:133466)
5α-pregnane-3,20β-diol disulfate(2−) (CHEBI:133467) is conjugate base of 5α-pregnane-3,20β-diol disulfate (CHEBI:133464)
Incoming Relation(s)
5α-pregnane-3,20β-diol disulfate (CHEBI:133464) is conjugate acid of 5α-pregnane-3,20β-diol disulfate(2−) (CHEBI:133467)
IUPAC Name 
(20R)-5α-pregnane-3,20-diyl disulfate
Synonyms  Source
5α-pregnane-3,20R-diol disulfate(2−)ChEBI
(5α,20R)-pregnane-3,20-diyl disulfateIUPAC