Streptomycin B

Details

• Internal ID: 5597067e-0092-46f9-a008-5068b3af41bc
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides > Aminocyclitol glycosides
• IUPAC Name: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-4-formyl-4-hydroxy-3-[(2S,3S,4S,5R,6S)-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
• InChI: InChI=1S/C27H49N7O17/c1-6-27(45,5-37)21(24(46-6)50-20-10(34-26(30)31)13(39)9(33-25(28)29)14(40)17(20)43)51-22-11(32-2)15(41)19(8(4-36)48-22)49-23-18(44)16(42)12(38)7(3-35)47-23/h5-24,32,35-36,38-45H,3-4H2,1-2H3,(H4,28,29,33)(H4,30,31,34)/t6-,7-,8-,9+,10-,11-,12+,13+,14-,15-,16-,17+,18-,19-,20+,21-,22-,23+,24-,27+/m0/s1
• InChI Key: HQXKELRFXWJXNP-ABOIPUQESA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₄₉N₇O₁₇
• Molecular Weight: 743.70 g/mol
• Exact Mass: 743.31849312 g/mol
• Topological Polar Surface Area (TPSA): 416.00 Ų
• XlogP: -10.10

Synonyms

• Mannosidostreptomycin
• CJ1467C885
• mannosylstreptomycin
• 128-45-0
• STREPTOMYCIN B [MI]
• UNII-CJ1467C885
• CHEBI:135879
• EINECS 204-887-7
• BRN 0077587
• 4-18-00-07546 (Beilstein Handbook Reference)
• Q27275489
• 1,1'-((1R,2R,3S,4R,5R,6S)-4-(((2R,3R,4R,5S)-4-Formyl-4-hydroxy-3-(((2S,3S,4S,5R,6S)-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-(((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-methyltetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
• D-STREPTAMINE, O-.BETA.-D-MANNOPYRANOSYL-(1->4)-O-2-DEOXY-2-(METHYLAMINO)-.ALPHA.-L-GLUCOPYRANOSYL-(1->2)-O-5-DEOXY-3-C-FORMYL-.ALPHA.-L-LYXOFURANOSYL-(1->4)-N,N'-BIS(AMINOIMINOMETHYL)-
• D-STREPTAMINE, O-.BETA.-D-MANNOPYRANOSYL-(1->4)-O-2-DEOXY-2-(METHYLAMINO)-.ALPHA.-L-GLUCOPYRANOSYL-(1->2)-O-5-DEOXY-3-C-FORMYL-.ALPHA.-L-LYXOFURANOSYL-(1->4)-N1,N3-BIS(AMINOIMINOMETHYL)-
• D-Streptamine, O-beta-D-mannopyranosyl-(1.fwdarw.4)-O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1.fwdarw.2)-O-5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl-(1.fwdarw.4)-N,N'-bis(aminoiminomethyl)-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.80%	91.11%
CHEMBL218	P21554	Cannabinoid CB1 receptor	97.24%	96.61%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.45%	96.09%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	93.65%	95.58%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	91.87%	89.34%
CHEMBL2581	P07339	Cathepsin D	89.31%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.31%	94.45%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	88.21%	83.57%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	86.92%	94.33%
CHEMBL1974	P36888	Tyrosine-protein kinase receptor FLT3	86.76%	91.83%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	86.66%	96.21%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	86.22%	97.88%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.76%	96.00%
CHEMBL3401	O75469	Pregnane X receptor	83.80%	94.73%
CHEMBL2072	P35499	Sodium channel protein type IV alpha subunit	83.42%	92.32%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.22%	97.09%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	81.84%	95.50%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	81.19%	95.83%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	80.79%	91.24%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	80.70%	95.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 76971547
• LOTUS: LTS0236235
• wikiData: Q27275489