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dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose

PropertiesImage
MNX_IDMNXM162672 Image of MNXM162672
referencechebi:88119
formulaC16H20N2O14P2
global charge-2
mol weight526.284
InChIKeyQWDIAMULKXKCNE-NJIBTWPXSA-L
InChIInChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h4-5,8-9,11-13,19-20H,3,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/p-2/t8-,9+,11-,12-,13-/m1/s1
SMILESCC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3C=C(O)C(=O)[C@@H](C)O3)O2)C(=O)NC1=O
MNX internals
InChI (mnx)InChI=1/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h4-5,8-9,11-13,19-20H,3,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-/m1/s1 Image of MNXM162672
SMILES (mnx)[CH3:1][C:7]1=[CH:5][N:18]([C@H:12]2[CH2:3][C@H:9]([OH:19])[C@@H:11]([CH2:6][O:28][P:33]([OH:24])(=[O:25])[O:32][P:34]([OH:26])(=[O:27])[O:31][C@@H:13]3[CH:4]=[C:10]([OH:20])[C:14](=[O:21])[C@@H:8]([CH3:2])[O:29]3)[O:30]2)[C:16](=[O:23])[N:17]=[C:15]1[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:88119
chebi:88119
QWDIAMULKXKCNE-NJIBTWPXSA-L 		dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose
dTDP-(2R,6S)-4-hydroxy-2-methyl-3-oxo-3,6-dihydro-2H-pyran-3(6H)-one(2-)
dTDP-2,3-dehydro-2,6-dideoxy-4-keto-alpha-D-glucose(2-)

seed.compound:cpd08727
seedM:cpd08727
FHKRUUVTZNTHKJ-NJIBTWPXSA-L 		dTDP 1-ester with (6R)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran
dTDP-(2R,6S)-6-hydroxy-2-methyl-3-oxo-3,6-dihydro-2H-pyran-4-olate
dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose

CHEBI:90167
chebi:90167
QWDIAMULKXKCNE-NJIBTWPXSA-N 		dTDP-2,3-dehydro-2,6-dideoxy-4-keto-alpha-D-glucose
5'-O-{hydroxy[(hydroxy{[(2R,6R)-4-hydroxy-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]oxy}phosphoryl)oxy]phosphoryl}thymidine
dTDP-(2R,6S)-4-hydroxy-2-methyl-3-oxo-3,6-dihydro-2H-pyran-3(6H)-one
dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose

metacyc.compound:CPD-13380
metacycM:CPD-13380
kegg.compound:C11930
keggC:C11930
QWDIAMULKXKCNE-NJIBTWPXSA-K
QWDIAMULKXKCNE-NJIBTWPXSA-N 		dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose

chebi:29715
keggC:M_C11930
seedM:M_cpd08727 		secondary/obsolete/fantasy identifier