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dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose

PropertiesImage
MNX_IDMNXM6260 Image of MNXM6260
referencechebi:84540
formulaC16H20N2O14P2
global charge-2
mol weight526.284
InChIKeyFHKRUUVTZNTHKJ-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/h5,8-9,11-13,19H,3-4,6H2,1-2H3,(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]3CC(=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/h5,8-9,11-13,19H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-/m1/s1 Image of MNXM6260
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[CH2:4][C:10](=[O: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)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84540
chebi:84540
FHKRUUVTZNTHKJ-NJIBTWPXSA-L 		dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose
dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose(2-)

CHEBI:85369
chebi:85369
FHKRUUVTZNTHKJ-NJIBTWPXSA-N 		dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose
5'-O-{hydroxy[(hydroxy{[(2R,6R)-6-methyl-4,5-dioxooxan-2-yl]oxy}phosphoryl)oxy]phosphoryl}thymidine
dTDP-3,4-diketo-2,6-dideoxy-alpha-D-glucose
dTDP-3,4-dioxo-2,6-dideoxy-alpha-D-glucose

metacyc.compound:CPD-13952
metacycM:CPD-13952
FHKRUUVTZNTHKJ-NJIBTWPXSA-L 		dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose
6-dTDP-(2R,6S)-2-methyloxane-3,4-dione

seed.compound:cpd04024
seedM:cpd04024
FHKRUUVTZNTHKJ-NJIBTWPXSA-L 		dTDP-3,4-dioxo-2,6-dideoxy-D-glucose
6-dTDP-(2R,6S)-2-methyloxane-3,4-dione
dTDP-(2R,6S)-6-hydroxy-2-methyloxane-3,4-dione
dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose

kegg.compound:C06620
keggC:C06620
FHKRUUVTZNTHKJ-NJIBTWPXSA-N 		dTDP-3,4-dioxo-2,6-dideoxy-D-glucose
dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose

keggC:M_C06620
seedM:M_cpd04024 		secondary/obsolete/fantasy identifier