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dTDP-alpha-D-forosamine

PropertiesImage
MNX_IDMNXM11460 Image of MNXM11460
referencechebi:90947
formulaC18H30N3O12P2
global charge-1
mol weight542.395
InChIKeyXZDZLDKUTVVABQ-HIFUNWJGSA-M
InChIInChI=1S/C18H31N3O12P2/c1-10-8-21(18(24)19-17(10)23)15-7-13(22)14(31-15)9-29-34(25,26)33-35(27,28)32-16-6-5-12(20(3)4)11(2)30-16/h8,11-16,22H,5-7,9H2,1-4H3,(H,25,26)(H,27,28)(H,19,23,24)/p-1/t11-,12+,13+,14-,15-,16-/m1/s1
SMILESCC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3CC[C@H]([NH+](C)C)[C@@H](C)O3)O2)C(=O)NC1=O
MNX internals
InChI (mnx)InChI=1/C18H31N3O12P2/c1-10-8-21(18(24)19-17(10)23)15-7-13(22)14(31-15)9-29-34(25,26)33-35(27,28)32-16-6-5-12(20(3)4)11(2)30-16/h8,11-16,22H,5-7,9H2,1-4H3,(H,25,26)(H,27,28)(H,19,23,24)/t11-,12+,13+,14-,15-,16-/m1/s1 Image of MNXM11460
SMILES (mnx)[CH3:1][C:10]1=[CH:8][N:21]([C@H:15]2[CH2:7][C@H:13]([OH:22])[C@@H:14]([CH2:9][O:29][P:34]([OH:25])(=[O:26])[O:33][P:35]([OH:27])(=[O:28])[O:32][C@@H:16]3[CH2:6][CH2:5][C@H:12]([N:20]([CH3:3])[CH3:4])[C@@H:11]([CH3:2])[O:30]3)[O:31]2)[C:18](=[O:24])[N:19]=[C:17]1[OH:23]
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:90947
chebi:90947
XZDZLDKUTVVABQ-HIFUNWJGSA-M 		dTDP-alpha-D-forosamine
5'-O-{[({[(2R,5S,6R)-5-(dimethylazaniumyl)-6-methyloxan-2-yl]oxy}phosphinato)oxy]phosphinato}thymidine
dTDP-alpha-D-forosamine(1-)

seed.compound:cpd18017
seedM:cpd18017
XZDZLDKUTVVABQ-HIFUNWJGSA-M 		dTDP-D-forosamine
dTDP-4-(dimethylamino)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose
dTDP-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl] ester
dTDP-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]ester
dTDP-alpha-D-forosamine

kegg.compound:C18034
keggC:C18034
XZDZLDKUTVVABQ-HIFUNWJGSA-N 		dTDP-D-forosamine
dTDP-4-(dimethylamino)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose
dTDP-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl] ester
dTDP-alpha-D-forosamine

CHEBI:81463
chebi:81463
XZDZLDKUTVVABQ-HIFUNWJGSA-N 		dTDP-alpha-D-forosamine
5'-O-[{[{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
dTDP-D-forosamine
dTDP-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl] ester

metacyc.compound:CPD-13384
metacycM:CPD-13384
XZDZLDKUTVVABQ-HIFUNWJGSA-M 		dTDP-alpha-D-forosamine
dTDP-4-(dimethylamino)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose

keggC:M_C18034
seedM:M_cpd18017 		secondary/obsolete/fantasy identifier