MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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4-methyl-5-(2-phosphooxyethyl)-thiazole

	Properties	Image
MNX_ID	MNXM960
reference	chebi:58296
formula	C₆H₈NO₄PS
global charge	-2
mol weight	221.174
InChIKey	OCYMERZCMYJQQO-UHFFFAOYSA-L
InChI	InChI=1S/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)/p-2
SMILES	CC1=C(CCOP(=O)([O-])[O-])SC=N1

MNX internals

InChI (mnx)	InChI=1/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)
SMILES (mnx)	[CH3:1][C:5]1=[C:6]([CH2:2][CH2:3][O:11][P:12]([OH:8])([OH:9])=[O:10])[S:13][CH:4]=[N:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58296 chebi:58296 OCYMERZCMYJQQO-UHFFFAOYSA-L	4-methyl-5-(2-phosphooxyethyl)-thiazole 2-(4-methyl-1,3-thiazol-5-yl)ethyl phosphate 4-methyl-5-(2-phosphonatooxyethyl)thiazole 4-methyl-5-(2-phosphonatooxyethyl)thiazole dianion 4-methyl-5-(2-phosphonatooxyethyl)thiazole(2-)
bigg.metabolite:4mpetz biggM:4mpetz vmhM:4mpetz vmhmetabolite:4mpetz OCYMERZCMYJQQO-UHFFFAOYSA-L OCYMERZCMYJQQO-UHFFFAOYSA-M	4-Methyl-5-(2-phosphoethyl)-thiazole
sabiork.compound:7237 sabiorkM:7237 OCYMERZCMYJQQO-UHFFFAOYSA-N	4-Methyl-5-(2-phosphoethyl)-thiazole 4-Methyl-5-(2-phosphono-oxyethyl)-thiazole
kegg.compound:C04327 keggC:C04327 OCYMERZCMYJQQO-UHFFFAOYSA-N	4-Methyl-5-(2-phosphooxyethyl)thiazole 4-Methyl-5-(2-phosphonooxyethyl)thiazole 5-(2-Hydroxyethyl)-4-methylthiazole phosphate HET-P
seed.compound:cpd02654 seedM:cpd02654 OCYMERZCMYJQQO-UHFFFAOYSA-L	4-Methyl-5--2-phosphoethyl-thiazole 4-4-methyl-5-(2-phosphonooxyethyl)-thiazole 4-Methyl-5-(2-phosphoethyl)-thiazole 4-Methyl-5-(2-phosphoethyl)thiazole 4-Methyl-5-(2-phosphono-oxyethyl)-thiazole 4-Methyl-5-(2-phosphono-oxyethyl)thiazole 4-methyl-5-(2- phosphoethyl)-thiazole 4-methyl-5-(2-phosphoethyl)-thiazole 4-methyl-5-(2-phosphonooxyethyl)thiazole 4-methyl-5-(2-phosphooxyethyl)thiazole 4-methyl-5-(beta-hydroxyethyl)thiazole phosphate 4mpetz HET-P THZ-P
hmdb:HMDB0304185 OCYMERZCMYJQQO-UHFFFAOYSA-N	4-methyl-5-(2-phosphonooxyethyl)thiazole 2-(4-methyl-1,3-thiazol-5-yl)ethoxyphosphonic acid 4-METHYL-5-hydroxyethylthiazole phosphATE 4-Methyl-5-(2-phosphoethyl)-thiazole 4-Methyl-5-(2-phosphono-oxyethyl)-thiazole 4-Methyl-5-(2-phosphonooxyethyl)-thiazole 4-Methyl-5-(2-phosphonooxyethyl)thiazole 4-Methyl-5-hydroxyethylthiazole phosphoric acid 4-Metyl-5-(b-hydroxyethyl)thiazole phosphate 4-Metyl-5-(b-hydroxyethyl)thiazole phosphoric acid 4-Metyl-5-(beta-hydroxyethyl)thiazole phosphate 4-Metyl-5-(beta-hydroxyethyl)thiazole phosphoric acid 5-(2-Hydroxyethyl)-4-methylthiazole phosphate 5-(2-Hydroxyethyl)-4-methylthiazole phosphoric acid HET-p PHOSPHORIC ACID mono-[2-(4-methyl-thiazol-5-yl)-ethyl] ester PHOSPHate mono-[2-(4-methyl-thiazol-5-yl)-ethyl] ester [2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phosphonic acid
CHEBI:17857 chebi:17857 OCYMERZCMYJQQO-UHFFFAOYSA-N	4-methyl-5-(2-phosphonooxyethyl)thiazole 2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE 4-Methyl-5-(2-phosphoethyl)-thiazole 4-Methyl-5-(2-phosphono-oxyethyl)-thiazole 4-methyl-5-(2-phosphonooxyethyl)-thiazole PHOSPHORIC ACID MONO-[2-(4-METHYL-THIAZOL-5-YL)-ETHYL] ESTER
metacyc.compound:THZ-P metacycM:THZ-P OCYMERZCMYJQQO-UHFFFAOYSA-L	4-methyl-5-(2-phosphooxyethyl)thiazole 4-4-methyl-5-(2-phosphonooxyethyl)-thiazole 4-methyl-5-(2-phosphoethyl)-thiazole 4-methyl-5-(beta-hydroxyethyl)thiazole phosphate HET-P THZ-P
chebi:12023 chebi:12024 chebi:1892 chebi:20439 chebi:30638 chebi:46182 biggM:M_4mpetz keggC:M_C04327 seedM:M_cpd02654 vmhM:M_4mpetz	secondary/obsolete/fantasy identifier