ChEBI
  Marvin  09120512302D          

 13 13  0  0  0  0            999 V2000
    4.1552   -4.5462    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.1405   -5.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -4.5457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1483   -3.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3215   -4.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4941   -3.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3148   -3.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6451   -3.3348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -2.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2556   -2.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5716   -2.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8178   -3.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7903   -2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
 12  7  1  0  0  0  0
  9  8  1  0  0  0  0
 12  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <ID>
CHEBI:17857

> <NAME>
4-methyl-5-(2-phosphonooxyethyl)thiazole

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12023; CHEBI:1892; CHEBI:46182; CHEBI:12024; CHEBI:20439; CHEBI:30638

> <SYNONYM>
PHOSPHORIC ACID MONO-[2-(4-METHYL-THIAZOL-5-YL)-ETHYL] ESTER; 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE; 4-methyl-5-(2-phosphonooxyethyl)-thiazole; 4-Methyl-5-(2-phosphono-oxyethyl)-thiazole; 4-Methyl-5-(2-phosphoethyl)-thiazole

> <IUPAC_NAME>
2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate

> <FORMULA>
C6H10NO4PS

> <MASS>
223.18770

> <MONOISOTOPIC_MASS>
223.00682

> <CHARGE>
0

> <SMILES>
Cc1ncsc1CCOP(O)(O)=O

> <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)

> <INCHIKEY>
OCYMERZCMYJQQO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
195538

> <DRUGBANK_ACCESSION>
DB03145

> <KEGG_COMPOUND_ACCESSION>
C04327

> <KNAPSACK_ACCESSION>
C00007608

> <PDBECHEM_ACCESSION>
TZP

$$$$