Search MNXref
 Feedback

6''-O-carbamoylkanamycin A

PropertiesImage
MNX_IDMNXM145744 Image of MNXM145744
referencechebi:73675
formulaC19H41N5O12
global charge4
mol weight531.56
InChIKeyPRWQRPNQDIKFBR-NOAMYHISSA-R
InChIInChI=1S/C19H37N5O12/c20-2-6-10(26)12(28)13(29)18(33-6)36-16-5(22)1-4(21)15(14(16)30)35-17-11(27)8(23)9(25)7(34-17)3-32-19(24)31/h4-18,25-30H,1-3,20-23H2,(H2,24,31)/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
SMILESNC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3O)[C@@H]([NH3+])C[C@H]2[NH3+])[C@H](O)[C@@H]([NH3+])[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C19H37N5O12/c20-2-6-10(26)12(28)13(29)18(33-6)36-16-5(22)1-4(21)15(14(16)30)35-17-11(27)8(23)9(25)7(34-17)3-32-19(24)31/h4-18,25-30H,1-3,20-23H2,(H2,24,31)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1 Image of MNXM145744
SMILES (mnx)[CH2:1]1[C@@H:4]([NH2:21])[C@H:15]([O:35][C@@H:17]2[C@H:11]([OH:27])[C@@H:8]([NH2:23])[C@H:9]([OH:25])[C@@H:7]([CH2:3][O:32][C:19](=[NH:24])[OH:31])[O:34]2)[C@@H:14]([OH:30])[C@H:16]([O:36][C@@H:18]2[C@H:13]([OH:29])[C@@H:12]([OH:28])[C@H:10]([OH:26])[C@@H:6]([CH2:2][NH2:20])[O:33]2)[C@H:5]1[NH2:22]
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:73675
chebi:73675
PRWQRPNQDIKFBR-NOAMYHISSA-R 		6''-O-carbamoylkanamycin A
(1S,2R,3R,4S,6R)-4,6-diazaniumyl-3-[(6-azaniumyl-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-azaniumyl-6-O-carbamoyl-3-deoxy-alpha-D-glucopyranoside
6''-O-carbamoylkanamycin A(4+)

kegg.compound:C20699
keggC:C20699
PRWQRPNQDIKFBR-NOAMYHISSA-N 		6''-O-Carbamoylkanamycin A

seed.compound:cpd31282
seedM:cpd31282
PRWQRPNQDIKFBR-NOAMYHISSA-R 		6''-O-Carbamoylkanamycin A
6''-O-carbamoylkanamycin A

metacyc.compound:CPD-15425
metacycM:CPD-15425
PRWQRPNQDIKFBR-NOAMYHISSA-R 		6''-O-carbamoylkanamycin A

CHEBI:73683
chebi:73683
PRWQRPNQDIKFBR-NOAMYHISSA-N 		6''-O-carbamoylkanamycin A
(1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-6-O-carbamoyl-3-deoxy-alpha-D-glucopyranoside

keggC:M_C20699
seedM:M_cpd31282 		secondary/obsolete/fantasy identifier