CHEBI:90946 - dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-α-D-glucose(1−)

ChEBI IDCHEBI:90946
ChEBI NamedTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-α-D-glucose(1−)
Stars
ASCII NamedTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-alpha-D-glucose(1-)
DefinitionA nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-α-D-glucose; major species at pH 7.3.
Last Modified18 March 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H28N3O12P2
Net Charge-1
Average Mass528.368
Monoisotopic Mass528.11537
SMILESC[NH2+][C@H]1CC[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cc(C)c(=O)nc3=O)C[C@@H]2O)O[C@@H]1C
InChIInChI=1S/C17H29N3O12P2/c1-9-7-20(17(23)19-16(9)22)14-6-12(21)13(30-14)8-28-33(24,25)32-34(26,27)31-15-5-4-11(18-3)10(2)29-15/h7,10-15,18,21H,4-6,8H2,1-3H3,(H,24,25)(H,26,27)(H,19,22,23)/p-1/t10-,11+,12+,13-,14-,15-/m1/s1
InChIKeyJRJYBKLGPOKTLS-YXJLRHLOSA-M
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-α-D-glucose(1−) (CHEBI:90946) has role bacterial metabolite (CHEBI:76969)
dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-α-D-glucose(1−) (CHEBI:90946) is a nucleotide-sugar oxoanion (CHEBI:59737)
dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-α-D-glucose(1−) (CHEBI:90946) is conjugate base of dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-α-D-glucose (CHEBI:131522)
Incoming Relation(s)
dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-α-D-glucose (CHEBI:131522) is conjugate acid of dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-α-D-glucose(1−) (CHEBI:90946)
IUPAC Name 
5'-O-{[({[(2R,5S,6R)-6-methyl-5-(methylazaniumyl)oxan-2-yl]oxy}phosphinato)oxy]phosphinato}thymidine
Synonyms  Source
dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranose(1−)ChEBI
dTDP-N-monodesmethyl-D-forosamineMetaCyc
UniProt Name  Source
dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoseUniProt
Manual XrefsDatabases
CPD-13389MetaCyc
Citations