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CHEBI:52564 - 2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole

ChEBI IDCHEBI:52564
ChEBI Name2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole
Stars
DefinitionA 2,5-dihydro-1,3-thiazole having 2-carboxy-, 4-methyl- and 5-[(2-phosphonooxy)ethylidene]-substituents.
Last Modified12 April 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H10NO6PS
Net Charge0
Average Mass267.199
Monoisotopic Mass266.99664
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)
InChIKeyPQMCQNOVNFNPFJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole (CHEBI:52564) has functional parent 4-methyl-5-(2-phosphonooxyethyl)thiazole (CHEBI:17857)
2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole (CHEBI:52564) is a 1,3-thiazoles (CHEBI:38418)
2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole (CHEBI:52564) is a monocarboxylic acid (CHEBI:25384)
2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole (CHEBI:52564) is a olefinic compound (CHEBI:78840)
2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole (CHEBI:52564) is a phosphate monoester (CHEBI:7794)
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)
Incoming Relation(s)
(2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid (CHEBI:134196) is a 2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole (CHEBI:52564)
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)
IUPAC Name 
4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid