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

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ChEBI Name dihydrostreptomycin 3'α,6-bisphosphate(1−)
ChEBI ID CHEBI:58259
ChEBI ASCII Name dihydrostreptomycin 3'alpha,6-bisphosphate(1-)
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H42N7O18P2
Net Charge -1
Average Mass 742.54180
Monoisotopic Mass 742.20671
InChI InChI=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
InChIKey ZDDYYKRGKUKSLN-TWBNDLJKSA-M
SMILES C[NH2+][C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)COP([O-])([O-])=O)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1NC(N)=[NH2+]
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
dihydrostreptomycin 3'α,6-bisphosphate UniProt
dihydrostreptomycin 3'α,6-bisphosphate anion ChEBI
Last Modified
13 November 2017