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

Properties

Image

Occurences in reactions

MNX_ID

MNXM38913

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

formula

C₁₈H₃₈N₃O₁₂

charge

mass

488.511

reference

chebi:72945

InChIKey

UPPJKCYSMDGLRE-DNBVWFFRSA-Q

InChI

InChI=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

[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

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72945 chebi:72945	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	3''-deamino-3''-hydroxykanamycin C
CHEBI:73078 chebi:73078	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	6-O-Glc-paromamine
seed.compound:cpd17984 seedM:cpd17984	6-O-Glc-paromamine 3''-deamino-3''-hydroxykanamycin C
keggC:M_C17999 seedM:M_cpd17984	secondary/obsolete/fantasy identifier