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2'''-acetyl-6'''-hydroxyneomycin C

Properties

Image

Occurences in reactions

MNX_ID

MNXM9732

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₂₅H₅₁N₅O₁₅

charge

mass

661.33597

reference

chebi:65030

InChIKey

UGNMCGGITJEYFO-KVQCZYKRSA-R

InChI

InChI=1S/C25H47N5O15/c1-6(33)30-13-18(38)16(36)10(4-31)41-24(13)44-21-11(5-32)42-25(19(21)39)45-22-14(34)7(27)2-8(28)20(22)43-23-12(29)17(37)15(35)9(3-26)40-23/h7-25,31-32,34-39H,2-5,26-29H2,1H3,(H,30,33)/p+4/t7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65030 chebi:65030	2'''-acetyl-6'''-hydroxyneomycin C (1R,2R,3S,4R,6S)-4,6-diazaniumyl-2-{[3-O-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diazaniumyl-2,6-dideoxy-alpha-D-glucopyranoside 2'''-acetyl-6'''-deamino 6'''-hydroxyneomycin C(4+) 2'''-acetyl-6'''-hydroxyneomycin C(4+)
kegg.compound:C17587 keggC:C17587	2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C
seed.compound:cpd17708 seedM:cpd17708	2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C 2'''-acetyl-6'''-deamino-6'''-hydroxyneomycin C 2'''-acetyl-6'''-hydroxyneomycin C
metacyc.compound:CPD-14168 metacycM:CPD-14168	2'''-acetyl-6'''-deamino-6'''-hydroxyneomycin C
CHEBI:65044 chebi:65044	2'''-acetyl-6'''-hydroxyneomycin C (1R,2R,3S,4R,6S)-2-{[3-O-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)-beta-D-ribofuranosyl]oxy}-4,6-diamino-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside 2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C 2'''-acetyl-6'''-deamino 6'''-hydroxyneomycin C
keggC:M_C17587 seedM:M_cpd17708	secondary/obsolete/fantasy identifier