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dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-hexopyranose

PropertiesImage
MNX_IDMNXM7332 Image of MNXM7332
referencechebi:90944
formulaC16H22N2O13P2
global charge-2
mol weight512.301
InChIKeyYINKRXMSCURQIS-RHZHCTOVSA-L
InChIInChI=1S/C16H24N2O13P2/c1-8-6-18(16(22)17-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(19)9(2)28-14/h6,9,11-14,20H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,17,21,22)/p-2/t9-,11+,12-,13-,14-/m1/s1
SMILESCC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3CCC(=O)[C@@H](C)O3)O2)C(=O)NC1=O
MNX internals
InChI (mnx)InChI=1/C16H24N2O13P2/c1-8-6-18(16(22)17-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(19)9(2)28-14/h6,9,11-14,20H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,17,21,22)/t9-,11+,12-,13-,14-/m1/s1 Image of MNXM7332
SMILES (mnx)[CH3:1][C:8]1=[CH:6][N:18]([C@H:13]2[CH2:5][C@H:11]([OH:20])[C@@H:12]([CH2:7][O:27][P:32]([OH:23])(=[O:24])[O:31][P:33]([OH:25])(=[O:26])[O:30][C@@H:14]3[CH2:4][CH2:3][C:10](=[O:19])[C@@H:9]([CH3:2])[O:28]3)[O:29]2)[C:16](=[O:22])[N:17]=[C:15]1[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90944
chebi:90944
YINKRXMSCURQIS-RHZHCTOVSA-L 		dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-hexopyranose
5'-O-{[({[(2R,6R)-6-methyl-5-oxooxan-2-yl]oxy}phosphinato)oxy]phosphinato}thymidine
dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucopyranose(2-)
dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose(2-)

CHEBI:81461
chebi:81461
YINKRXMSCURQIS-RHZHCTOVSA-N 		dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose
5'-O-{hydroxy[(hydroxy{[(2R,6R)-6-methyl-5-oxooxan-2-yl]oxy}phosphoryl)oxy]phosphoryl}thymidine
dTDP-4-oxo-2,3,6-trideoxy-D-glucose
dTDP-[(2R,6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl] ester

metacyc.compound:CPD-13382
metacycM:CPD-13382
YINKRXMSCURQIS-RHZHCTOVSA-L 		dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-hexopyranose
dTDP-4-oxo-2,3,6-trideoxy-D-glucose

seed.compound:cpd18015
seedM:cpd18015
kegg.compound:C18032
keggC:C18032
YINKRXMSCURQIS-RHZHCTOVSA-L
YINKRXMSCURQIS-RHZHCTOVSA-N 		dTDP-4-oxo-2,3,6-trideoxy-D-glucose
dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-hexopyranose
dTDP-[(2R,6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl] ester

keggC:M_C18032
seedM:M_cpd18015 		secondary/obsolete/fantasy identifier