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dTDP-4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose

PropertiesImage
MNX_IDMNXM5144 Image of MNXM5144
referencechebi:27498
formulaC17H26N2O14P2
global charge0
mol weight544.343
InChIKeyJOZTVKXGCLUNKC-DHBRWODKSA-N
InChIInChI=1S/C17H26N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-13,20,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10-,11+,12+,13+,17+/m0/s1
SMILESCC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3C[C@@](C)(O)C(=O)[C@H](C)O3)O2)C(=O)NC1=O
MNX internals
InChI (mnx)InChI=1/C17H26N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-13,20,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10-,11+,12+,13+,17+/m0/s1 Image of MNXM5144
SMILES (mnx)[CH3:1][C:8]1=[CH:6][N:19]([C@H:12]2[CH2:4][C@H:10]([OH:20])[C@@H:11]([CH2:7][O:29][P:34]([OH:25])(=[O:26])[O:33][P:35]([OH:27])(=[O:28])[O:32][C@@H:13]3[CH2:5][C@@:17]([CH3:3])([OH:24])[C:14](=[O:21])[C@H:9]([CH3:2])[O:30]3)[O:31]2)[C:16](=[O:23])[N:18]=[C:15]1[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27498
chebi:27498
JOZTVKXGCLUNKC-DHBRWODKSA-N 		dTDP-4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose
dTDP-4-oxo-3-methyl-2,6-dideoxy-beta-L-glucose
thymidine 5'-[3-(2,6-dideoxy-3-C-methyl-beta-L-erythro-hexopyranosyl-4-ulose) dihydrogen diphosphate]

seed.compound:cpd24116
seedM:cpd24116
JOZTVKXGCLUNKC-DHBRWODKSA-L 		dTDP-(2S,4R,6S)-4,6-dihydroxy-2,4-dimethyloxan-3-one
dTDP-4-dehydro-3-C-methyl-2,6-dideoxy-beta-L-galactose
dTDP-4-dehydro-3-C-methyl-2,6-dideoxy-beta-L-mannose

kegg.compound:C11915
keggC:C11915
JOZTVKXGCLUNKC-DHBRWODKSA-N 		dTDP-3-methyl-4-oxo-2,6-dideoxy-L-allose

seed.compound:cpd08712
seedM:cpd08712
vmhM:dtdp3modglu
vmhmetabolite:dtdp3modglu
JOZTVKXGCLUNKC-DHBRWODKSA-L
JOZTVKXGCLUNKC-DHBRWODKSA-N 		dTDP-3-methyl-4-oxo-2,6-dideoxy-L-glucose

metacyc.compound:CPD-13987
metacycM:CPD-13987
JOZTVKXGCLUNKC-DHBRWODKSA-L 		dTDP-4-dehydro-3-C-methyl-2,6-dideoxy-beta-L-galactose
dTDP-(2S,4R,6S)-4,6-dihydroxy-2,4-dimethyloxan-3-one
dTDP-4-dehydro-3-C-methyl-2,6-dideoxy-beta-L-mannose

chebi:10515
chebi:23546
keggC:M_C11915
seedM:M_cpd08712
seedM:M_cpd24116
vmhM:M_dtdp3modglu 		secondary/obsolete/fantasy identifier