CHEBI:32158 - streptomycin sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name streptomycin sulfate
ChEBI ID CHEBI:32158
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae 2C21H39N7O12.3H2O4S
C42H84N14O36S3
Net Charge 0
Average Mass 1457.389
Monoisotopic Mass 1456.43348
InChI InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1
InChIKey QTENRWWVYAAPBI-YCRXJPFRSA-N
SMILES OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@@H](NC(=N)N)[C@@H]([C@H]2O)O)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@@H](O)[C@@H](O3)CO)O)NC.OS(=O)(O)=O.OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=N)N)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC
ChEBI Ontology
Outgoing streptomycin sulfate (CHEBI:32158) has functional parent streptomycin (CHEBI:17076)
streptomycin sulfate (CHEBI:32158) is a aminoglycoside sulfate salt (CHEBI:38012)
Synonym Source
Streptomycin sulfate KEGG COMPOUND
Manual Xrefs Databases
2472 BPDB
D01350 KEGG DRUG
View more database links
Registry Number Type Source
3810-74-0 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017