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3''-deamino-3''-hydroxykanamycin C

PropertiesImage
MNX_IDMNXM38913 Image of MNXM38913
referencechebi:72945
formulaC18H38N3O12
global charge3
mol weight488.511
InChIKeyUPPJKCYSMDGLRE-DNBVWFFRSA-Q
InChIInChI=1S/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-8(21)11(26)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/p+3/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1
SMILES[NH3+][C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-8(21)11(26)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1 Image of MNXM38913
SMILES (mnx)[CH2:1]1[C@H:4]([NH2:19])[C@@H:15]([O:32][C@@H:17]2[C@H:8]([NH2:21])[C@@H:11]([OH:26])[C@H:9]([OH:24])[C@@H:6]([CH2:2][OH:22])[O:30]2)[C@H:14]([OH:29])[C@@H:16]([O:33][C@@H:18]2[C@H:13]([OH:28])[C@@H:12]([OH:27])[C@H:10]([OH:25])[C@@H:7]([CH2:3][OH:23])[O:31]2)[C@@H:5]1[NH2:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72945
chebi:72945
UPPJKCYSMDGLRE-DNBVWFFRSA-Q 		3''-deamino-3''-hydroxykanamycin C
(1S,2S,3R,4S,6R)-4,6-diazaniumyl-3-[(2-azaniumyl-2-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl alpha-D-glucopyranoside
3''-deamino-3''-hydroxykanamycin C(3+)

metacyc.compound:CPD-14153
metacycM:CPD-14153
UPPJKCYSMDGLRE-DNBVWFFRSA-Q 		3''-deamino-3''-hydroxykanamycin C

CHEBI:73078
chebi:73078
UPPJKCYSMDGLRE-DNBVWFFRSA-N 		3''-deamino-3''-hydroxykanamycin C
(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2-amino-2-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl alpha-D-glucopyranoside

kegg.compound:C17999
keggC:C17999
UPPJKCYSMDGLRE-DNBVWFFRSA-N 		6-O-Glc-paromamine

seed.compound:cpd17984
seedM:cpd17984
UPPJKCYSMDGLRE-DNBVWFFRSA-Q 		6-O-Glc-paromamine
3''-deamino-3''-hydroxykanamycin C

keggC:M_C17999
seedM:M_cpd17984 		secondary/obsolete/fantasy identifier