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

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ChEBI Name 2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole
ChEBI ID CHEBI:52564
Definition A 2,5-dihydro-1,3-thiazole having 2-carboxy-, 4-methyl- and 5-[(2-phosphonooxy)ethylidene]-substituents.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C7H10NO6PS
Net Charge 0
Average Mass 267.19600
Monoisotopic Mass 266.99665
InChI InChI=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)
InChIKey PQMCQNOVNFNPFJ-UHFFFAOYSA-N
SMILES CC1=NC(SC1=CCOP(O)(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 (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
Last Modified
12 April 2021