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CHEBI:45195 - (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE

Default Structure
ChEBI IDCHEBI:45195
ChEBI Name(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC19H28N2O7S2
Net Charge0
Average Mass460.574
Monoisotopic Mass460.13379
SMILES[H]c1c(OS(=O)(=O)N([H])[H])c(OC([H])([H])[H])c([H])c2c1C([H])([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])(OS(=O)(=O)N([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
InChIInChI=1S/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1
InChIKeyAQSNIXKAKUZPSI-SSTWWWIQSA-N
ChEBI Ontology
Outgoing Relation(s)
(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE (CHEBI:45195) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATEPDBeChem
(9beta,17beta)-2-methoxyestra-1,3,5(10)-triene-3,17-diyl disulfamatePDBeChem
Manual XrefsDatabases
PO1PDBeChem