(2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid (CHEBI:134196)

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CHEBI:134196 - (2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid

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ChEBI ID	CHEBI:134196
ChEBI Name	(2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid
Stars
ASCII Name	(2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid
Definition	A 2,5-dihydro-1,3-thiazole carrying carboxy-, methyl- and (2-phosphonooxy)ethylidene-substituents at positions 2, 4 and 5 respectively.
Secondary ChEBI ID	CHEBI:138844
Last Modified	12 April 2021
Submitter	Keeva, mwilliams
Downloads	Molfile

Formula	C7H10NO6PS
Net Charge	0
Average Mass	267.199
Monoisotopic Mass	266.99664
SMILES	CC1=N[C@@H](C(=O)O)S/C1=C\COP(=O)(O)O
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)/b5-2-/t6-/m1/s1
InChIKey	PQMCQNOVNFNPFJ-HYIMLASBSA-N

Species of Metabolite	Component	Source	Comments
Apis cerana (ncbitaxon:7461)	-	MetaboLights (MTBLS379)
Bacillus subtilis (ncbitaxon:1423)	-	PubMed (21534620)

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	(2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid (CHEBI:134196) has role bacterial metabolite (CHEBI:76969)
	(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)
	(2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid (CHEBI:134196) is conjugate acid of (R,Z)- 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3−) (CHEBI:62899)
Incoming Relation(s)
	(R,Z)- 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3−) (CHEBI:62899) is conjugate base of (2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid (CHEBI:134196)

IUPAC Name
(2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid

Synonyms	Source
2-[(2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate	ChEBI
cThz*-P	MetaCyc
(R,Z)-2-(2-carboxy-4-methylthiazol-5(2H)-ylidene)ethyl phosphate	MetaCyc

Manual Xrefs	Databases
C20246	KEGG COMPOUND

Registry Numbers	Sources
Reaxys:19003148	Reaxys

Citations