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6'''-deamino-6'''-oxoneomycin C

PropertiesImage
MNX_IDMNXM10350 Image of MNXM10350
referencechebi:65068
formulaC23H48N5O14
global charge5
mol weight618.658
InChIKeyISQZALIQHGXYSL-VZXHOKRSSA-S
InChIInChI=1S/C23H43N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-6(26)1-5(25)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(28)16(35)14(33)8(3-29)38-22/h3,5-23,30-36H,1-2,4,24-28H2/p+5/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
SMILES[NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](C=O)[C@@H](O)[C@H](O)[C@H]4[NH3+])[C@H]3O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C23H43N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-6(26)1-5(25)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(28)16(35)14(33)8(3-29)38-22/h3,5-23,30-36H,1-2,4,24-28H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 Image of MNXM10350
SMILES (mnx)[CH2:1]1[C@@H:5]([NH2:25])[C@H:12]([OH:31])[C@@H:20]([O:42][C@H:23]2[C@H:17]([OH:36])[C@H:19]([O:41][C@@H:22]3[C@H:11]([NH2:28])[C@@H:16]([OH:35])[C@H:14]([OH:33])[C@@H:8]([CH:3]=[O:29])[O:38]3)[C@@H:9]([CH2:4][OH:30])[O:39]2)[C@H:18]([O:40][C@@H:21]2[C@H:10]([NH2:27])[C@@H:15]([OH:34])[C@H:13]([OH:32])[C@@H:7]([CH2:2][NH2:24])[O:37]2)[C@H:6]1[NH2:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65068
chebi:65068
ISQZALIQHGXYSL-VZXHOKRSSA-S 		6'''-deamino-6'''-oxoneomycin C
(1R,2R,3S,4R,6S)-4,6-diammonio-2-{[3-O-(2-ammonio-2-deoxy-alpha-D-gluco-hexodialdo-1,5-pyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diammonio-2,6-dideoxy-alpha-D-glucopyranoside
6'''-deamino-6'''-dehydro-6'''-oxoneomycin C(5+)
6'''-deamino-6'''-oxoneomycin C(5+)
6'''-oxoneomycin C(5+)

seed.compound:cpd17710
seedM:cpd17710
ISQZALIQHGXYSL-VZXHOKRSSA-S 		6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C
6'''-Deamino-6'''-oxoneomycin C
6'''-Oxoneomycin C
6'''-deamino-6'''-oxoneomycin C
6'''-oxoneomycin C

kegg.compound:C17589
keggC:C17589
ISQZALIQHGXYSL-VZXHOKRSSA-N 		6'''-Deamino-6'''-oxoneomycin C
6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C
6'''-Oxoneomycin C

metacyc.compound:CPD-14167
metacycM:CPD-14167
ISQZALIQHGXYSL-VZXHOKRSSA-S 		6'''-deamino-6'''-oxoneomycin C

CHEBI:65098
chebi:65098
ISQZALIQHGXYSL-VZXHOKRSSA-N 		6'''-oxoneomycin C
(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2-amino-2-deoxy-alpha-D-gluco-hexodialdo-1,5-pyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside
6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C

keggC:M_C17589
seedM:M_cpd17710 		secondary/obsolete/fantasy identifier