EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28333 - dihydrostreptomycin 3'',6-bisphosphate

ChEBI IDCHEBI:28333
ChEBI Namedihydrostreptomycin 3'',6-bisphosphate
Stars
Secondary ChEBI IDsCHEBI:4589, CHEBI:23771
Last Modified24 May 2007
DownloadsMolfile
FormulaC21H43N7O18P2
Net Charge0
Average Mass743.554
Monoisotopic Mass743.21398
SMILESCN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](OP(=O)(O)O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1OP(=O)(O)O
InChIInChI=1S/C21H43N7O18P2/c1-5-21(34,4-30)16(44-17-9(26-2)15(46-48(38,39)40)10(31)6(3-29)42-17)18(41-5)43-13-7(27-19(22)23)11(32)8(28-20(24)25)14(12(13)33)45-47(35,36)37/h5-18,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)(H2,38,39,40)/t5-,6-,7-,8+,9-,10-,11-,12-,13+,14-,15-,16-,17-,18-,21+/m0/s1
InChIKeyCWOLTUKRSULKST-PNUZMXECSA-N
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
dihydrostreptomycin 3'',6-bisphosphate (CHEBI:28333) has functional parent dihydrostreptomycin (CHEBI:38291)
dihydrostreptomycin 3'',6-bisphosphate (CHEBI:28333) is a streptomycin phosphate (CHEBI:26787)
IUPAC Name 
(1S,2R,3S,4S,5R,6S)-2,4-dicarbamimidamido-5-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-3-O-phosphono-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-lyxofuranosyl}oxy)-3,6-dihydroxycyclohexyl dihydrogen phosphate
Synonym  Source
Dihydrostreptomycin 6,3''-bis-phosphateKEGG COMPOUND
Manual XrefsDatabases
C04458KEGG COMPOUND