LLL

(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL

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is present as a standalone ligand in 15 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries

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Chemical Component Summary
Name	(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL
Synonyms	GENTAMICIN C1A
Identifiers	(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol
Formula	C₁₉ H₃₉ N₅ O₇
Molecular Weight	449.542
Type	NON-POLYMER
Isomeric SMILES	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O
InChI	InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1
InChIKey	VEGXETMJINRLTH-BOZYPMBZSA-N

Chemical Details
Formal Charge	0
Atom Count	70
Chiral Atom Count	12
Bond Count	72
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB04729 ?
Name	Gentamicin C1a
Groups	experimental
Synonyms	Gentamicin c1a sulfate Gentamicin C1a Gentamycin C12
Categories	Agents that produce neuromuscular block (indirect) Aminoglycoside Antibacterials Anti-Bacterial Agents Carbohydrates Drugs that are Mainly Renally Excreted Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index Glycosides Narrow Therapeutic Index Drugs Nephrotoxic agents
CAS number	26098-04-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
30S ribosomal protein S12	MATVNQLVRKPRARKVAKSNVPALEACPQKRGVCTRVYTTTPKKPNSALR...	unknown	adduct
16S ribosomal RNA	-	unknown	adduct

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682