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dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose

PropertiesImage
MNX_IDMNXM5728 Image of MNXM5728
referencechebi:84537
formulaC16H22N2O14P2
global charge-2
mol weight528.3
InChIKeyAONILRCSLAIOQE-LREJFELKSA-L
InChIInChI=1S/C16H24N2O14P2/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/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/p-2/t8-,9+,10-,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@@H](O)C(=O)[C@@H](C)O3)O2)C(=O)NC1=O
MNX internals
InChI (mnx)InChI=1/C16H24N2O14P2/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/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-/m1/s1 Image of MNXM5728
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@@H: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)18
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84537
chebi:84537
AONILRCSLAIOQE-LREJFELKSA-L 		dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose
dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose(2-)

CHEBI:85368
chebi:85368
AONILRCSLAIOQE-LREJFELKSA-N 		dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose
dTDP-4-keto-2,6-dideoxy-alpha-D-glucose
dTDP-4-oxo-2,6-dideoxy-D-glucose
dTDP-4-oxo-2,6-dideoxy-alpha-D-glucose
thymidine 5'-[3-(2,6-dideoxy-alpha-D-threo-hexopyranosyl-4-ulose) dihydrogen diphosphate]

metacyc.compound:CPD-13381
metacycM:CPD-13381
AONILRCSLAIOQE-LREJFELKSA-L 		dTDP-4-dehydro-2,6-dideoxy-alpha-D-threo-hexopyranose
dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose
dTDP-4-oxo-2,6-dideoxy-alpha-D-glucose

seed.compound:cpd08719
seedM:cpd08719 		dTDP-4-oxo-2,6-dideoxy-D-glucose

kegg.compound:C11922
keggC:C11922
AONILRCSLAIOQE-LREJFELKSA-N 		dTDP-4-oxo-2,6-dideoxy-D-glucose
dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose
dTDP-4-keto-2,6-dideoxy-D-glucose
dTDP-4-oxo-2,6-dideoxy-alpha-D-glucose

seed.compound:cpd04025
seedM:cpd04025
AONILRCSLAIOQE-LREJFELKSA-L 		dTDP-4-oxo-2,6-dideoxy-alpha-D-glucose
dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose
dTDP-4-dehydro-2,6-dideoxy-alpha-D-threo-hexopyranose
dTDP-4-oxo-2,6-dideoxy-D-glucose

keggC:M_C11922
seedM:M_cpd04025
seedM:M_cpd08719 		secondary/obsolete/fantasy identifier