Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:22:42 UTC
Update Date2022-08-12 20:09:40 UTC
Metabolite IDMMDBc0056318
Metabolite Identification
Common Namestreptomycin 3''-phosphate
Descriptionstreptomycin 3''-phosphate(1+) belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines. Based on a literature review very few articles have been published on streptomycin 3''-phosphate(1+).
Structure
Synonyms
ValueSource
Streptomycin 3''-phosphateChEBI
Streptomycin 3''-phosphate cationChEBI
Streptomycin 3''-phosphoric acidGenerator
Streptomycin 3''-phosphoric acid cationGenerator
Streptomycin 3''-phosphoric acid(1+)Generator
Molecular FormulaC21H41N7O15P
Average Mass662.566
Monoisotopic Mass662.239277066
IUPAC Name[amino({[(1R,2R,3S,4R,5R,6S)-3-carbamimidamido-4-{[(2R,3R,4R,5S)-4-formyl-4-hydroxy-3-{[(2S,3S,4S,5S,6S)-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)-4-(phosphonooxy)oxan-2-yl]oxy}-5-methyloxolan-2-yl]oxy}-2,5,6-trihydroxycyclohexyl]amino})methylidene]azanium
Traditional Name[amino({[(1R,2R,3S,4R,5R,6S)-3-carbamimidamido-4-{[(2R,3R,4R,5S)-4-formyl-4-hydroxy-3-{[(2S,3S,4S,5S,6S)-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)-4-(phosphonooxy)oxan-2-yl]oxy}-5-methyloxolan-2-yl]oxy}-2,5,6-trihydroxycyclohexyl]amino})methylidene]azanium
CAS Registry NumberNot Available
SMILES
[H][C@@]1(C)O[C@@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(NC(N)=[NH2+])[C@@]([H])(O)[C@]2([H])NC(N)=N)[C@]([H])(O[C@]2([H])O[C@@]([H])(CO)[C@]([H])(O)[C@@]([H])(OP(O)(O)=O)[C@]2([H])NC)[C@@]1(O)C=O
InChI Identifier
InChI=1S/C21H40N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)15(43-44(36,37)38)10(31)6(3-29)40-17)18(39-5)41-14-8(28-20(24)25)11(32)7(27-19(22)23)12(33)13(14)34/h4-18,26,29,31-35H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/p+1/t5-,6-,7+,8-,9-,10-,11+,12-,13+,14+,15-,16-,17-,18-,21+/m0/s1
InChI KeyBFUAJTIVTIKBSB-GOUKQLAUSA-O