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CHEBI:58259 - dihydrostreptomycin 3'α,6-bisphosphate(1−)

ChEBI IDCHEBI:58259
ChEBI Namedihydrostreptomycin 3'α,6-bisphosphate(1−)
Stars
ASCII Namedihydrostreptomycin 3'alpha,6-bisphosphate(1-)
DefinitionAn organophosphate oxoanion that is the conjugate base of dihydrostreptomycin 3'α,6-bisphosphate arising from deprotonation of the phosphate OH groups and protonation of the guanidino and secondary amino groups; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC21H42N7O18P2
Net Charge-1
Average Mass742.546
Monoisotopic Mass742.20670
SMILESC[NH2+][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)=[NH2+])[C@@H](O)[C@@H]3NC(N)=[NH2+])O[C@@H](C)[C@]2(O)COP(=O)([O-])[O-])O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C21H43N7O18P2/c1-5-21(34,4-41-47(35,36)37)16(45-17-9(26-2)12(32)10(30)6(3-29)43-17)18(42-5)44-14-7(27-19(22)23)11(31)8(28-20(24)25)15(13(14)33)46-48(38,39)40/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)/p-1/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,21+/m0/s1
InChIKeyZDDYYKRGKUKSLN-TWBNDLJKSA-M
ChEBI Ontology
Outgoing Relation(s)
dihydrostreptomycin 3'α,6-bisphosphate(1−) (CHEBI:58259) is a organophosphate oxoanion (CHEBI:58945)
dihydrostreptomycin 3'α,6-bisphosphate(1−) (CHEBI:58259) is conjugate base of dihydrostreptomycin 3'α,6-bisphosphate (CHEBI:17751)
Incoming Relation(s)
dihydrostreptomycin 3'α,6-bisphosphate (CHEBI:17751) is conjugate acid of dihydrostreptomycin 3'α,6-bisphosphate(1−) (CHEBI:58259)
IUPAC Name 
(1R,2S,3S,4R,5S,6S)-2,4-bis{[amino(iminio)methyl]amino}-3,6-dihydroxy-5-(phosphonatooxy)cyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)-α-L-glucopyranosyl]-3-C-[(phosphonatooxy)methyl]-α-L-lyxofuranoside
Synonym  Source
dihydrostreptomycin 3'α,6-bisphosphate anionChEBI
UniProt Name  Source
dihydrostreptomycin 3'α,6-bisphosphateUniProt