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dibekacin

PropertiesImage
MNX_IDMNXM104489 Image of MNXM104489
referencechebi:37945
formulaC18H37N5O8
global charge0
mol weight451.521
InChIKeyJJCQSGDBDPYCEO-XVZSLQNASA-N
InChIInChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
SMILESNC[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)O1
MNX internals
InChI (mnx)InChI=1/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1 Image of MNXM104489
SMILES (mnx)[CH2:1]1[CH2:2][C@@H:7]([NH2:20])[C@@H:17]([O:30][C@@H:15]2[C@@H:8]([NH2:21])[CH2:3][C@@H:9]([NH2:22])[C@H:16]([O:31][C@@H:18]3[C@H:13]([OH:26])[C@@H:11]([NH2:23])[C@H:12]([OH:25])[C@@H:10]([CH2:5][OH:24])[O:29]3)[C@H:14]2[OH:27])[O:28][C@@H:6]1[CH2:4][NH2:19]
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:37945
chebi:37945
JJCQSGDBDPYCEO-XVZSLQNASA-N 		dibekacin
(1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside
3',4'-Dideoxykanamycin B
DKM
O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-6))-2-deoxy-L-streptamine
Panamicin

sabiork.compound:26280
sabiorkM:26280
JJCQSGDBDPYCEO-XVZSLQNASA-N 		Dibekacin

kegg.drug:D07811
keggD:D07811
JJCQSGDBDPYCEO-XVZSLQNASA-N 		Dibekacin (INN)

metacyc.compound:CPD-14161
metacycM:CPD-14161
seed.compound:cpd24206
seedM:cpd24206
JJCQSGDBDPYCEO-XVZSLQNASA-S 		dibekacin

keggD:M_D07811
seedM:M_cpd24206 		secondary/obsolete/fantasy identifier