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CHEBI:90944 - dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose(2−)

ChEBI IDCHEBI:90944
ChEBI NamedTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose(2−)
Stars
ASCII NamedTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose(2-)
DefinitionA nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose; major species at pH 7.3.
Last Modified14 March 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H22N2O13P2
Net Charge-2
Average Mass512.301
Monoisotopic Mass512.06081
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3CCC(=O)[C@@H](C)O3)O2)c(=O)nc1=O
InChIInChI=1S/C16H24N2O13P2/c1-8-6-18(16(22)17-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(19)9(2)28-14/h6,9,11-14,20H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,17,21,22)/p-2/t9-,11+,12-,13-,14-/m1/s1
InChIKeyYINKRXMSCURQIS-RHZHCTOVSA-L
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose(2−) (CHEBI:90944) has role bacterial metabolite (CHEBI:76969)
dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose(2−) (CHEBI:90944) is a nucleotide-sugar oxoanion (CHEBI:59737)
dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose(2−) (CHEBI:90944) is conjugate base of dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose (CHEBI:81461)
Incoming Relation(s)
dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose (CHEBI:81461) is conjugate acid of dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose(2−) (CHEBI:90944)
IUPAC Name 
5'-O-{[({[(2R,6R)-6-methyl-5-oxooxan-2-yl]oxy}phosphinato)oxy]phosphinato}thymidine
Synonym  Source
dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucopyranose(2−)ChEBI
UniProt Name  Source
dTDP-4-dehydro-2,3,6-trideoxy-α-D-hexopyranoseUniProt
Manual XrefsDatabases
CPD-13382MetaCyc
Citations