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dihydrostreptomycin 6-phosphate

PropertiesImage
MNX_IDMNXM2517 Image of MNXM2517
referencechebi:57797
formulaC21H43N7O15P
global charge1
mol weight664.583
InChIKeyDCRWHJGCOKPJBN-TWBNDLJKSA-O
InChIInChI=1S/C21H42N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)12(33)10(31)6(3-29)40-17)18(39-5)41-14-7(27-19(22)23)11(32)8(28-20(24)25)15(13(14)34)43-44(36,37)38/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/p+1/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,21+/m0/s1
SMILESC[NH2+][C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]3NC(N)=[NH2+])O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C21H42N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)12(33)10(31)6(3-29)40-17)18(39-5)41-14-7(27-19(22)23)11(32)8(28-20(24)25)15(13(14)34)43-44(36,37)38/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,21+/m0/s1 Image of MNXM2517
SMILES (mnx)[CH3:1][C@H:5]1[C@@:21]([CH2:4][OH:30])([OH:35])[C@@H:16]([O:42][C@H:17]2[C@@H:9]([NH:26][CH3:2])[C@H:12]([OH:33])[C@@H:10]([OH:31])[C@H:6]([CH2:3][OH:29])[O:40]2)[C@H:18]([O:41][C@@H:14]2[C@@H:7]([NH:27][C:19](=[NH:22])[NH2:23])[C@H:11]([OH:32])[C@@H:8]([NH:28][C:20](=[NH:24])[NH2:25])[C@H:15]([O:43][P:44]([OH:36])([OH:37])=[O:38])[C@H:13]2[OH:34])[O:39]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57797
chebi:57797
DCRWHJGCOKPJBN-TWBNDLJKSA-O 		dihydrostreptomycin 6-phosphate
[2-deoxy-2-(dimethylazaniumyl)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-hydroxymethyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5-trihydroxy-6-(phosphonatooxy)cyclohexane-1,3-diyl]diguanidinium}
dihydrostreptomycin 6-phosphate cation
dihydrostreptomycin 6-phosphate(1+)

kegg.compound:C01221
keggC:C01221
DCRWHJGCOKPJBN-TWBNDLJKSA-N 		Dihydrostreptomycin 6-phosphate

seed.compound:cpd00899
seedM:cpd00899
DCRWHJGCOKPJBN-TWBNDLJKSA-O 		Dihydrostreptomycin 6-phosphate
dihydrostreptomycin 6-phosphate

CHEBI:16505
chebi:16505
DCRWHJGCOKPJBN-TWBNDLJKSA-N 		dihydrostreptomycin 6-phosphate
(1S,2R,3S,4S,5R,6S)-2,4-bis(carbamimidamido)-5-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyloxy}-3,6-dihydroxycyclohexyl dihydrogen phosphate
Dihydrostreptomycin 6-phosphate
O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-D-streptamine-6-(dihydrogen phosphate)

metacyc.compound:DIHYDROSTREPTOMYCIN-6-PHOSPHATE
metacycM:DIHYDROSTREPTOMYCIN-6-PHOSPHATE
DCRWHJGCOKPJBN-TWBNDLJKSA-O 		dihydrostreptomycin 6-phosphate
N-formyl-L-glutamate

chebi:14163
chebi:23772
chebi:4590
keggC:M_C01221
seedM:M_cpd00899 		secondary/obsolete/fantasy identifier