Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-23 23:16:09 UTC
Update Date2024-04-30 20:32:47 UTC
Metabolite IDMMDBc0047928
Metabolite Identification
Common NamedTDP-4-oxo-6-deoxy-D-glucose
DescriptiondTDP-4-oxo-6-deoxy-D-glucose belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. Outside of the human body, dTDP-4-oxo-6-deoxy-D-glucose has been detected, but not quantified in, several different foods, such as common thymes, kumquats, cascade huckleberries, red huckleberries, and lotus. This could make dTDP-4-oxo-6-deoxy-D-glucose a potential biomarker for the consumption of these foods. dTDP-4-oxo-6-deoxy-D-glucose is a product of the enzyme TDP-glucose 4,6-dehydratase (EC 4.2.1.46) in the nucleotide sugars metabolism pathway.
Structure
Synonyms
ValueSource
dTDP-4-dehydro-6-deoxy-D-glucoseChEBI
dTDP-4-oxo-6-deoxy-alpha-D-glucoseChEBI, KEGG
dTDP-6-deoxy-alpha-D-xylo-4-hexuloseChEBI, HMDB
dTDP-6-deoxy-alpha-D-xylo-hex-4-uloseChEBI, HMDB
dTDP-4-dehydro-6-deoxy-a-D-glucoseGenerator
dTDP-4-dehydro-6-deoxy-α-D-glucoseGenerator
dTDP-4-oxo-6-deoxy-a-D-glucoseGenerator
dTDP-4-oxo-6-deoxy-α-D-glucoseGenerator
dTDP-6-deoxy-a-D-xylo-4-hexuloseGenerator, HMDB
dTDP-6-deoxy-α-D-xylo-4-hexuloseGenerator, HMDB
dTDP-6-deoxy-a-D-xylo-hex-4-uloseGenerator, HMDB
dTDP-6-deoxy-α-D-xylo-hex-4-uloseGenerator, HMDB
dTDP-6-deoxy-D-xylo-4-hexuloseMeSH, KEGG
Thymidine diphosphate-6-deoxy-xylo-4-hexulose, alpha-isomerMeSH, HMDB
dTDP-DXHMeSH, HMDB
Thymidine diphosphate-6-deoxy-D-xylo-4-hexuloseMeSH, HMDB
Thymidine diphosphate-6-deoxy-xylo-4-hexuloseMeSH, HMDB
dTDP-4-dehydro-6-deoxy-alpha-D-glucoseKEGG
dTDP-4-dehydro-6-deoxy-alpha-D-glucopyranoseKEGG
dTDP-6-deoxy-D-xylo-hexos-4-uloseKEGG
4,6-Dideoxy-4-oxo-dTDP-D-glucoseKEGG
dTDP-4-Dehydro-6-deoxy-a-D-glucopyranoseGenerator
dTDP-4-dehydro-6-deoxy-α-D-glucopyranoseGenerator
Deoxythymidine diphosphate 4-keto-6-deoxy-D-glucoseHMDB
TDP-4-keto-6-deoxy-D-glucoseHMDB
TDP-4-keto-6-deoxy-alpha-D-glucoseHMDB
TDP-4-keto-6-deoxy-α-D-glucoseHMDB
TDP-4-keto-6-deoxyglucoseHMDB
Thymidine 5'-diphosphate 4-keto-6-deoxy-D-glucoseHMDB
Thymidine 5’-diphosphate 4-keto-6-deoxy-D-glucoseHMDB
dTDP-4-keto-6-deoxy-D-glucoseHMDB
dTDP-4-oxo-6-deoxy-D-glucoseHMDB
dTDP-6-deoxy-4-keto-alpha-D-glucoseHMDB
dTDP-6-deoxy-4-keto-α-D-glucoseHMDB
dTDP-6-deoxy-4-ketoglucoseHMDB
dTDP-6-deoxy-alpha-D-xylo-4-hexosuloseHMDB
dTDP-6-deoxy-alpha-D-xylohex-4-uloseHMDB
dTDP-6-deoxy-α-D-xylo-4-hexosuloseHMDB
dTDP-6-deoxy-α-D-xylohex-4-uloseHMDB
dTDP-KDGHMDB
Molecular FormulaC16H24N2O15P2
Average Mass546.3137
Monoisotopic Mass546.065191132
IUPAC Name{[(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
Traditional Name[(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
CAS Registry Number16752-71-9
SMILES
C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@@H](O)C1=O
InChI Identifier
InChI=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)/t7-,8+,9-,10-,12+,13-,15-/m1/s1
InChI KeyPSXWNITXWWECNY-UCBTUHGZSA-N