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N(6')-acetylkanamycin B

Properties

Image

Occurences in reactions

MNX_ID

MNXM4683

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₀H₄₃N₅O₁₁

charge

mass

529.29371

reference

chebi:58390

InChIKey

JVNRAWAXQAGKBK-HLIGCJFYSA-R

InChI

InChI=1S/C20H39N5O11/c1-5(27)25-3-8-13(29)14(30)11(24)19(33-8)35-17-6(21)2-7(22)18(16(17)32)36-20-15(31)10(23)12(28)9(4-26)34-20/h6-20,26,28-32H,2-4,21-24H2,1H3,(H,25,27)/p+4/t6-,7+,8+,9+,10-,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+/m0/s1

SMILES

CC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58390 chebi:58390	N(6')-acetylkanamycin B (1R,2S,3S,4R,6S)-4,6-diazaniumyl-3-[(3-azaniumyl-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 6-acetamido-2-azaniumyl-2,6-dideoxy-alpha-D-glucopyranoside N(6')-acetylkanamycin B tetracation N(6')-acetylkanamycin B(4+)
CHEBI:18142 chebi:18142	N(6')-acetylkanamycin B (1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 6-acetamido-2-amino-2,6-dideoxy-alpha-D-glucopyranoside N6'-Acetylkanamycin-B
kegg.compound:C03154 keggC:C03154	N6'-Acetylkanamycin-B
sabiork.compound:6468 sabiorkM:6468	N6'-Acetylkanamycin-B N6'-Acetylkanamycin B
seed.compound:cpd02019 seedM:cpd02019	N6'-Acetylkanamycin-B N6'-acetylkanamycin-B
metacyc.compound:N6-ACETYLKANAMYCIN-B metacycM:N6-ACETYLKANAMYCIN-B	N6'-acetylkanamycin-B
chebi:12655 chebi:21851 chebi:7401 keggC:M_C03154 seedM:M_cpd02019	secondary/obsolete/fantasy identifier