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dihydrostreptomycin 3'alpha,6-bisphosphate

MNXM93351 is deprecated and here replaced by MNXM1371757
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371757 Image of MNXM1371757
referencechebi:58259
formulaC21H42N7O18P2
global charge-1
mol weight742.546
InChIKeyZDDYYKRGKUKSLN-TWBNDLJKSA-M
InChIInChI=1S/C21H43N7O18P2/c1-5-21(34,4-41-47(35,36)37)16(45-17-9(26-2)12(32)10(30)6(3-29)43-17)18(42-5)44-14-7(27-19(22)23)11(31)8(28-20(24)25)15(13(14)33)46-48(38,39)40/h5-18,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)(H2,38,39,40)/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)COP(=O)([O-])[O-])O[C@@H](CO)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C21H43N7O18P2/c1-5-21(34,4-41-47(35,36)37)16(45-17-9(26-2)12(32)10(30)6(3-29)43-17)18(42-5)44-14-7(27-19(22)23)11(31)8(28-20(24)25)15(13(14)33)46-48(38,39)40/h5-18,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)(H2,38,39,40)/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,21+/m0/s1 Image of MNXM1371757
SMILES (mnx)[CH3:1][C@H:5]1[C@@:21]([CH2:4][O:41][P:47]([OH:35])([OH:36])=[O:37])([OH:34])[C@@H:16]([O:45][C@H:17]2[C@@H:9]([NH:26][CH3:2])[C@H:12]([OH:32])[C@@H:10]([OH:30])[C@H:6]([CH2:3][OH:29])[O:43]2)[C@H:18]([O:44][C@@H:14]2[C@@H:7]([NH:27][C:19](=[NH:22])[NH2:23])[C@H:11]([OH:31])[C@@H:8]([NH:28][C:20](=[NH:24])[NH2:25])[C@H:15]([O:46][P:48]([OH:38])([OH:39])=[O:40])[C@H:13]2[OH:33])[O:42]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58259
chebi:58259
ZDDYYKRGKUKSLN-TWBNDLJKSA-M 		dihydrostreptomycin 3'alpha,6-bisphosphate
(1R,2S,3S,4R,5S,6S)-2,4-bis{[amino(iminio)methyl]amino}-3,6-dihydroxy-5-(phosphonatooxy)cyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)-alpha-L-glucopyranosyl]-3-C-[(phosphonatooxy)methyl]-alpha-L-lyxofuranoside
dihydrostreptomycin 3'alpha,6-bisphosphate anion
dihydrostreptomycin 3'alpha,6-bisphosphate(1-)

kegg.compound:C01280
keggC:C01280
ZDDYYKRGKUKSLN-TWBNDLJKSA-N 		Dihydrostreptomycin 3'alpha,6-bisphosphate

seed.compound:cpd00940
seedM:cpd00940
ZDDYYKRGKUKSLN-TWBNDLJKSA-M 		Dihydrostreptomycin 3'alpha,6-bisphosphate
dihydrostreptomycin 3'-alpha-6-bisphosphate

CHEBI:17751
chebi:17751
ZDDYYKRGKUKSLN-TWBNDLJKSA-N 		dihydrostreptomycin 3'alpha,6-bisphosphate
(1R,2S,3S,4R,5S,6S)-2,4-dicarbamimidamido-3,6-dihydroxy-5-(phosphonooxy)cyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-[(phosphonooxy)methyl]-alpha-L-lyxofuranoside
Dihydrostreptomycin 3'alpha,6-bisphosphate

chebi:14162
chebi:23769
chebi:4587
keggC:M_C01280
seedM:M_cpd00940 		secondary/obsolete/fantasy identifier