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CHEBI:90947 - dTDP-α-D-forosamine(1−)

ChEBI IDCHEBI:90947
ChEBI NamedTDP-α-D-forosamine(1−)
Stars
ASCII NamedTDP-alpha-D-forosamine(1-)
DefinitionA nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-α-D-forosamine; major species at pH 7.3.
Last Modified18 March 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H30N3O12P2
Net Charge-1
Average Mass542.395
Monoisotopic Mass542.13102
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3CC[C@H]([NH+](C)C)[C@@H](C)O3)O2)c(=O)nc1=O
InChIInChI=1S/C18H31N3O12P2/c1-10-8-21(18(24)19-17(10)23)15-7-13(22)14(31-15)9-29-34(25,26)33-35(27,28)32-16-6-5-12(20(3)4)11(2)30-16/h8,11-16,22H,5-7,9H2,1-4H3,(H,25,26)(H,27,28)(H,19,23,24)/p-1/t11-,12+,13+,14-,15-,16-/m1/s1
InChIKeyXZDZLDKUTVVABQ-HIFUNWJGSA-M
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
dTDP-α-D-forosamine(1−) (CHEBI:90947) has role bacterial metabolite (CHEBI:76969)
dTDP-α-D-forosamine(1−) (CHEBI:90947) is a nucleotide-sugar oxoanion (CHEBI:59737)
dTDP-α-D-forosamine(1−) (CHEBI:90947) is conjugate base of dTDP-α-D-forosamine (CHEBI:81463)
Incoming Relation(s)
dTDP-α-D-forosamine (CHEBI:81463) is conjugate acid of dTDP-α-D-forosamine(1−) (CHEBI:90947)
IUPAC Name 
5'-O-{[({[(2R,5S,6R)-5-(dimethylazaniumyl)-6-methyloxan-2-yl]oxy}phosphinato)oxy]phosphinato}thymidine
UniProt Name  Source
dTDP-α-D-forosamineUniProt
Manual XrefsDatabases
CPD-13384MetaCyc
Citations