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CHEBI:31722 - isepamicin sulfate

ChEBI IDCHEBI:31722
ChEBI Nameisepamicin sulfate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H43N5O12.H2O4S
Net Charge0
Average Mass667.688
Monoisotopic Mass667.25820
SMILESCN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CN)OC[C@]1(C)O.O=S(=O)(O)O
InChIInChI=1S/C22H43N5O12.H2O4S/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21;1-5(2,3)4/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34);(H2,1,2,3,4)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-;/m0./s1
InChIKeyDDXRHRXGIWOVDQ-MGAUJLSLSA-N
ChEBI Ontology
Outgoing Relation(s)
isepamicin sulfate (CHEBI:31722) has functional parent isepamicin (CHEBI:37951)
isepamicin sulfate (CHEBI:31722) is a aminoglycoside sulfate salt (CHEBI:38012)
Synonym  Source
Isepamicin sulfateKEGG COMPOUND
Manual XrefsDatabases
D01826KEGG DRUG
Registry NumbersSources
CAS:67814-76-0KEGG COMPOUND