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

PropertiesImage
MNX_IDMNXM9732 Image of MNXM9732
referencechebi:65030
formulaC25H51N5O15
global charge4
mol weight661.703
InChIKeyUGNMCGGITJEYFO-KVQCZYKRSA-R
InChIInChI=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
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](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+])O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/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)/t7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+/m1/s1 Image of MNXM9732
SMILES (mnx)[CH3:1][C:6](=[N:30][C@@H:13]1[C@@H:18]([OH:38])[C@H:16]([OH:36])[C@@H:10]([CH2:4][OH:31])[O:41][C@@H:24]1[O:44][C@@H:21]1[C@@H:11]([CH2:5][OH:32])[O:42][C@@H:25]([O:45][C@@H:22]2[C@@H:14]([OH:34])[C@H:7]([NH2:27])[CH2:2][C@H:8]([NH2:28])[C@H:20]2[O:43][C@@H:23]2[C@H:12]([NH2:29])[C@@H:17]([OH:37])[C@H:15]([OH:35])[C@@H:9]([CH2:3][NH2:26])[O:40]2)[C@@H:19]1[OH:39])[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65030
chebi:65030
UGNMCGGITJEYFO-KVQCZYKRSA-R 		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
UGNMCGGITJEYFO-KVQCZYKRSA-N 		2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C

seed.compound:cpd17708
seedM:cpd17708
UGNMCGGITJEYFO-KVQCZYKRSA-R 		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
UGNMCGGITJEYFO-KVQCZYKRSA-R 		2'''-acetyl-6'''-deamino-6'''-hydroxyneomycin C

CHEBI:65044
chebi:65044
UGNMCGGITJEYFO-KVQCZYKRSA-N 		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