CHEBI:31844 - micronomicin sulfate

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ChEBI Name micronomicin sulfate
ChEBI ID CHEBI:31844
Stars This entity has been manually annotated by a third party.
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Formulae C20H41N5O7.H2O4S
C20H43N5O11S
Net Charge 0
Average Mass 561.649
Monoisotopic Mass 561.268
InChI InChI=1S/C20H41N5O7.H2O4S/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2;1-5(2,3)4/h9-19,24-28H,4-8,21-23H2,1-3H3;(H2,1,2,3,4)/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-;/m0./s1
InChIKey MQDGQSCLOYLSEK-SCFBDNQUSA-N
SMILES [C@@H]1(O[C@@H]([C@@H](CC1)N)O[C@H]2[C@H](O)[C@H]([C@@H](C[C@@H]2N)N)O[C@H]3OC[C@]([C@@H]([C@H]3O)NC)(C)O)CNC.S(O)(=O)(=O)O
ChEBI Ontology
Outgoing micronomicin sulfate (CHEBI:31844) has functional parent micronomicin (CHEBI:37988)
micronomicin sulfate (CHEBI:31844) is a aminoglycoside sulfate salt (CHEBI:38012)
Synonym Source
Micronomicin sulfate KEGG COMPOUND
Database Link Database
D01821 KEGG DRUG
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Registry Number Type Source
66803-19-8 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017