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dTDP-4-dehydro-6-deoxy-alpha-D-glucose

PropertiesImage
MNX_IDMNXM1363974 Image of MNXM1363974
referencechebi:57649
formulaC16H22N2O15P2
global charge-2
mol weight544.299
InChIKeyPSXWNITXWWECNY-UCBTUHGZSA-L
InChIInChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/p-2/t7-,8+,9-,10-,12+,13-,15-/m1/s1
SMILESCC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O
MNX internals
InChI (mnx)InChI=1/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12+,13-,15-/m1/s1 Image of MNXM1363974
SMILES (mnx)[CH3:1][C:6]1=[CH:4][N:18]([C@H:10]2[CH2:3][C@H:8]([OH:19])[C@@H:9]([CH2:5][O:29][P:34]([OH:25])(=[O:26])[O:33][P:35]([OH:27])(=[O:28])[O:32][C@@H:15]3[C@H:13]([OH:22])[C@@H:12]([OH:21])[C:11](=[O:20])[C@@H:7]([CH3:2])[O:30]3)[O:31]2)[C:16](=[O:24])[N:17]=[C:14]1[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57649
chebi:57649
PSXWNITXWWECNY-UCBTUHGZSA-L 		dTDP-4-dehydro-6-deoxy-alpha-D-glucose
dTDP-4-dehydro-6-deoxy-alpha-D-glucose dianion
dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-)
dTDP-6-deoxy-alpha-D-xylo-4-hexulose(2-)
dTDP-6-deoxy-alpha-D-xylo-hex-4-ulose(2-)
dTDP-D-xylo-hexulose
thymidine 5'-[3-(6-deoxy-alpha-D-xylo-hexopyranosyl-4-ulose) diphosphate]

bigg.metabolite:dtdp4d6dg
biggM:dtdp4d6dg
PSXWNITXWWECNY-UCBTUHGZSA-L 		DTDP-4-dehydro-6-deoxy-D-glucose

sabiork.compound:1563
sabiorkM:1563
PSXWNITXWWECNY-UCBTUHGZSA-N 		dTDP-4-dehydro-6-deoxy-D-glucose
dTDP-4-oxo-6-deoxy-D-glucose
dTDP-4-oxo-6-deoxy-alpha-D-glucose
dTDP-6-deoxy-D-xylo-4-hexulose
dTDP-D-Glc4O

metacyc.compound:DTDP-DEOH-DEOXY-GLUCOSE
metacycM:DTDP-DEOH-DEOXY-GLUCOSE
PSXWNITXWWECNY-UCBTUHGZSA-L 		dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose
TDP-4-keto-6-deoxy--alpha-D-glucose
TDP-4-oxo-6-deoxy--alpha-D-glucose
dTDP-4-dehydro-6-deoxy-alpha-D-glucose
dTDP-4-oxo-6-deoxy--alpha-D-glucose
dTDP-6-deoxy-alpha-D-xylo-4-hexosulose
dTDP-6-deoxy-alpha-D-xylohex-4-ulose

vmhM:dtdp4d6dg
vmhmetabolite:dtdp4d6dg
PSXWNITXWWECNY-UCBTUHGZSA-L 		dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-)
{[(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy}({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy

CHEBI:16128
chebi:16128
PSXWNITXWWECNY-UCBTUHGZSA-N 		dTDP-4-dehydro-6-deoxy-alpha-D-glucose
dTDP-4-dehydro-6-deoxy-D-galactose
dTDP-4-dehydro-6-deoxy-D-glucose
dTDP-4-dehydro-6-deoxy-alpha-D-galactose
dTDP-4-oxo-6-deoxy-alpha-D-glucose
dTDP-6-deoxy-alpha-D-xylo-4-hexulose
dTDP-6-deoxy-alpha-D-xylo-hex-4-ulose
thymidine 5'-[3-(6-deoxy-alpha-D-xylo-hexopyranosyl-4-ulose) dihydrogen diphosphate]
hmdb:HMDB0001399
PSXWNITXWWECNY-UCBTUHGZSA-N 		dTDP-4-oxo-6-deoxy-D-glucose
4,6-Dideoxy-4-oxo-dTDP-D-glucose
Deoxythymidine diphosphate 4-keto-6-deoxy-D-glucose
TDP-4-keto-6-deoxy-D-glucose
TDP-4-keto-6-deoxy-alpha-D-glucose
TDP-4-keto-6-deoxyglucose
Thymidine 5'-diphosphate 4-keto-6-deoxy-D-glucose
Thymidine diphosphate-6-deoxy-D-xylo-4-hexulose
Thymidine diphosphate-6-deoxy-xylo-4-hexulose
Thymidine diphosphate-6-deoxy-xylo-4-hexulose, alpha-isomer
[(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy([hydroxy([(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxy)phosphoryl]oxy)phosphinic acid
dTDP-4-Dehydro-6-deoxy-a-D-glucopyranose
dTDP-4-dehydro-6-deoxy-D-glucose
dTDP-4-dehydro-6-deoxy-a-D-glucose
dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose
dTDP-4-dehydro-6-deoxy-alpha-D-glucose
dTDP-4-keto-6-deoxy-D-glucose
dTDP-4-oxo-6-deoxy-a-D-glucose
dTDP-4-oxo-6-deoxy-alpha-D-glucose
dTDP-6-deoxy-4-keto-alpha-D-glucose
dTDP-6-deoxy-4-ketoglucose
dTDP-6-deoxy-D-xylo-4-hexulose
dTDP-6-deoxy-D-xylo-hexos-4-ulose
dTDP-6-deoxy-a-D-xylo-4-hexulose
dTDP-6-deoxy-a-D-xylo-hex-4-ulose
dTDP-6-deoxy-alpha-D-xylo-4-hexosulose
dTDP-6-deoxy-alpha-D-xylo-4-hexulose
dTDP-6-deoxy-alpha-D-xylo-hex-4-ulose
dTDP-6-deoxy-alpha-D-xylohex-4-ulose
dTDP-DXH
dTDP-KDG
{[(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy}({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acid

seed.compound:cpd00521
seedM:cpd00521
PSXWNITXWWECNY-UCBTUHGZSA-L 		dTDP-4-oxo-6-deoxy-D-glucose
4,6-Dideoxy-4-oxo-dTDP-D-glucose
TDP-4-keto-6-deoxy--alpha-D-glucose
TDP-4-oxo-6-deoxy--alpha-D-glucose
dTDP-4-dehydro-6-deoxy-D-galactose
dTDP-4-dehydro-6-deoxy-D-glucose
dTDP-4-dehydro-6-deoxy-alpha-D-galactose
dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose
dTDP-4-dehydro-6-deoxy-alpha-D-glucose
dTDP-4-oxo-6-deoxy--alpha-D-glucose
dTDP-4-oxo-6-deoxy-alpha-D-glucose
dTDP-6-deoxy-D-xylo-hexos-4-ulose
dTDP-6-deoxy-alpha-D-xylo-4-hexosulose
dTDP-6-deoxy-alpha-D-xylohex-4-ulose
dtdp4d6dg

kegg.compound:C11907
keggC:C11907
PSXWNITXWWECNY-UCBTUHGZSA-N 		dTDP-4-oxo-6-deoxy-D-glucose
4,6-Dideoxy-4-oxo-dTDP-D-glucose
dTDP-4-dehydro-6-deoxy-D-galactose
dTDP-4-dehydro-6-deoxy-D-glucose
dTDP-4-dehydro-6-deoxy-alpha-D-galactose
dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranose
dTDP-4-dehydro-6-deoxy-alpha-D-glucose
dTDP-4-oxo-6-deoxy-alpha-D-glucose
dTDP-6-deoxy-D-xylo-4-hexulose
dTDP-6-deoxy-D-xylo-hexos-4-ulose

hmdb:HMDB0060081
hmdb:HMDB01399
hmdb:HMDB60081
chebi:10510
chebi:14081
chebi:23542
chebi:62829
biggM:M_dtdp4d6dg
keggC:M_C11907
seedM:M_cpd00521
vmhM:M_dtdp4d6dg 		secondary/obsolete/fantasy identifier