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CHEBI:228281 - Disodium;[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate

ChEBI IDCHEBI:228281
ChEBI NameDisodium;[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
Stars
Submitterntejera
DownloadsMolfile
FormulaC20H31N4O16P
Net Charge0
Average Mass614.454
Monoisotopic Mass614.14727
SMILES[H][C@]1(O)[C@@]([H])(O)[C@]([H])(n2ccc(=N)nc2O)O[C@]1([H])COP(=O)(O)O[C@@]1(C(=O)O)C[C@]([H])(O)[C@@]([H])(/N=C(\C)O)[C@]([H])([C@]([H])(O)[C@]([H])(O)CO)O1
InChIInChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1
InChIKeyTXCIAUNLDRJGJZ-BILDWYJOSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - MetaboLights (MTBLS8090)
ChEBI Ontology
Outgoing Relation(s)
Disodium;[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate (CHEBI:228281) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
disodium;[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate