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CHEBI:58895 - 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3−)

ChEBI IDCHEBI:58895
ChEBI Name2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3−)
Stars
ASCII Name2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-)
DefinitionTrianion of 2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole arising from deprotonation of carboxylic acid and phosphate functions.
Last Modified10 October 2011
DownloadsMolfile
FormulaC7H7NO6PS
Net Charge-3
Average Mass264.175
Monoisotopic Mass263.97482
SMILESCC1=NC(C(=O)[O-])SC1=CCOP(=O)([O-])[O-]
InChIInChI=1S/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2,6H,3H2,1H3,(H,9,10)(H2,11,12,13)/p-3
InChIKeyPQMCQNOVNFNPFJ-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3−) (CHEBI:58895) is a organophosphate oxoanion (CHEBI:58945)
2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3−) (CHEBI:58895) is conjugate base of 2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole (CHEBI:52564)
Incoming Relation(s)
(R,Z)- 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3−) (CHEBI:62899) is a 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3−) (CHEBI:58895)
2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole (CHEBI:52564) is conjugate acid of 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3−) (CHEBI:58895)
IUPAC Name 
4-methyl-5-[2-(phosphonatooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylate
Synonym  Source
2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole trianionChEBI
UniProt Name  Source
4-methyl-5-[2-(phosphonatooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylateUniProt