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7''-O-phosphohygromycin B

MNXM4421 is deprecated and here replaced by MNXM736190
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736190 Image of MNXM736190
referencechebi:57929
formulaC20H39N3O16P
global charge1
mol weight608.511
InChIKeyDDJWTKQJOKVHBW-NZSRVPFOSA-O
InChIInChI=1S/C20H38N3O16P/c1-23-7-2-5(21)9(25)15(10(7)26)36-19-17-16(11(27)8(3-24)35-19)38-20(39-17)18(30)13(29)12(28)14(37-20)6(22)4-34-40(31,32)33/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/p+1/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1
SMILESC[NH2+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@]4(O[C@H]23)O[C@H](C([NH3+])COP(=O)([O-])[O-])[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C20H38N3O16P/c1-23-7-2-5(21)9(25)15(10(7)26)36-19-17-16(11(27)8(3-24)35-19)38-20(39-17)18(30)13(29)12(28)14(37-20)6(22)4-34-40(31,32)33/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1 Image of MNXM736190
SMILES (mnx)[CH3:1][NH:23][C@H:7]1[CH2:2][C@@H:5]([NH2:21])[C@H:9]([OH:25])[C@@H:15]([O:36][C@H:19]2[C@@H:17]3[C@H:16]([C@@H:11]([OH:27])[C@@H:8]([CH2:3][OH:24])[O:35]2)[O:38][C@:20]2([C@H:18]([OH:30])[C@@H:13]([OH:29])[C@@H:12]([OH:28])[C@@H:14]([CH:6]([CH2:4][O:34][P:40]([OH:31])([OH:32])=[O:33])[NH2:22])[O:37]2)[O:39]3)[C@@H:10]1[OH:26]
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:57929
chebi:57929
DDJWTKQJOKVHBW-NZSRVPFOSA-O 		7''-O-phosphohygromycin B
(1S,2S,3R,4S,6R)-6-azaniumyl-2-[6-azaniumyl-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranosyloxy]-3-hydroxy-4-(methylazaniumyl)cyclohexyl phosphate
7''-O-phosphohygromycin B cation
7''-O-phosphohygromycin B(1+)

CHEBI:16861
chebi:16861
DDJWTKQJOKVHBW-NZSRVPFOSA-N 		7''-O-phosphohygromycin B
(1S,2S,3R,4S,6R)-6-amino-2-[6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranosyloxy]-3-hydroxy-4-(methylamino)cyclohexyl dihydrogen phosphate
7''-O-Phosphohygromycin

chebi:12241
chebi:20763
chebi:2243 		secondary/obsolete/fantasy identifier