CHEBI:31722 - isepamicin sulfate

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ChEBI Name isepamicin sulfate
ChEBI ID CHEBI:31722
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C22H43N5O12.(H2O4S)n
C22H45N5O16S
Net Charge 0
Average Mass 667.684
Monoisotopic Mass 667.25820
InChI InChI=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
InChIKey DDXRHRXGIWOVDQ-MGAUJLSLSA-N
SMILES S(O)(O)(=O)=O.[C@@H]1(O[C@H](O[C@H]2[C@@H]([C@H]([C@@H](C[C@@H]2N)NC([C@H](CN)O)=O)O[C@H]3OC[C@@]([C@@H]([C@H]3O)NC)(O)C)O)[C@H](O)[C@@H](O)[C@@H]1O)CN
ChEBI Ontology
Outgoing isepamicin sulfate (CHEBI:31722) has functional parent isepamicin (CHEBI:37951)
isepamicin sulfate (CHEBI:31722) is a aminoglycoside sulfate salt (CHEBI:38012)
Synonym Source
Isepamicin sulfate KEGG COMPOUND
Manual Xref Database
D01826 KEGG DRUG
View more database links
Registry Number Type Source
67814-76-0 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017