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dihydrostreptomycin

PropertiesImage
MNX_IDMNXM104572 Image of MNXM104572
referencechebi:38291
formulaC21H41N7O12
global charge0
mol weight583.596
InChIKeyASXBYYWOLISCLQ-HZYVHMACSA-N
InChIInChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
SMILESCN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1 Image of MNXM104572
SMILES (mnx)[CH3:1][C@H:5]1[C@@:21]([CH2:4][OH:30])([OH:36])[C@@H:16]([O:40][C@H:17]2[C@@H:9]([NH:26][CH3:2])[C@H:13]([OH:34])[C@@H:10]([OH:31])[C@H:6]([CH2:3][OH:29])[O:38]2)[C@H:18]([O:39][C@@H:15]2[C@@H:8]([NH:28][C:20](=[NH:24])[NH2:25])[C@H:11]([OH:32])[C@@H:7]([NH:27][C:19](=[NH:22])[NH2:23])[C@H:12]([OH:33])[C@H:14]2[OH:35])[O:37]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:38291
chebi:38291
ASXBYYWOLISCLQ-HZYVHMACSA-N 		dihydrostreptomycin
1,1'-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
DHMS
DST
Dihydrostreptomycin
N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine

kegg.compound:C01023
keggC:C01023
ASXBYYWOLISCLQ-HZYVHMACSA-N 		Dihydrostreptomycin

kegg.drug:D07840
keggD:D07840
ASXBYYWOLISCLQ-HZYVHMACSA-N 		Dihydrostreptomycin (INN)
hmdb:HMDB0251330
ASXBYYWOLISCLQ-UHFFFAOYSA-N 		Dihydrostreptomycin
N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine
dihydrostreptomycin

seed.compound:cpd00754
seedM:cpd00754
ASXBYYWOLISCLQ-HZYVHMACSA-Q 		Dihydrostreptomycin
dihydrostreptomycin

metacyc.compound:CPD-10143
metacycM:CPD-10143
ASXBYYWOLISCLQ-HZYVHMACSA-Q 		dihydrostreptomycin

chebi:23773
chebi:4585
keggC:M_C01023
keggD:M_D07840
seedM:M_cpd00754 		secondary/obsolete/fantasy identifier