CHEBI:7529 - netilmicin sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name netilmicin sulfate
ChEBI ID CHEBI:7529
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae 2C21H41N5O7.5H2O4S
C42H92N10O34S5
Net Charge 0
Average Mass 1441.559
Monoisotopic Mass 1440.43810
InChI InChI=1S/2C21H41N5O7.5H2O4S/c2*1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20;5*1-5(2,3)4/h2*5,11-20,25-29H,4,6-9,22-24H2,1-3H3;5*(H2,1,2,3,4)/t2*11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+;;;;;/m11...../s1
InChIKey AGFWIZQEWFGATK-UNZHCMSXSA-N
SMILES S(O)(O)(=O)=O.[C@@H]1([C@@H](C[C@H](N)[C@H]([C@@H]1O)O[C@H]2OC(=CC[C@H]2N)CN)NCC)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.[C@@H]1([C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]2OC(=CC[C@H]2N)CN)N)NCC)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O
ChEBI Ontology
Outgoing netilmicin sulfate (CHEBI:7529) has functional parent netilmycin (CHEBI:7528)
netilmicin sulfate (CHEBI:7529) is a aminoglycoside sulfate salt (CHEBI:38012)
Synonym Source
Netilmicin sulfate KEGG COMPOUND
Manual Xref Database
D00867 KEGG DRUG
View more database links
Registry Number Type Source
56391-57-2 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017