ChEBI
  Marvin  04271110572D          

 12 11  0  0  1  0            999 V2000
    7.3623   -3.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484   -3.5343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9348   -3.1204    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9490   -2.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0759   -3.5343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484   -4.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3765   -2.2924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2352   -3.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5215   -3.1204    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.1076   -3.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.7065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9212   -2.3925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  2  6  1  1  0  0  0
  5  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  3  4  1  6  0  0  0
  9  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
> <ID>
CHEBI:37525

> <NAME>
O-phospho-L-threonine

> <DEFINITION>
A L-threonine derivative phosphorylated at the side-chain hydroxy function.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45955; CHEBI:31757; CHEBI:21967

> <SYNONYM>
Threoninium dihydrogen phosphate; threonine phosphate ester; Phosphothreonine; O3-phosphothreonine; O-phospho-L-threonine; L-Threonine phosphate; L-Threonine O-3-phosphate; (2S,3R)-2-amino-3-hydroxybutanoic acid 3-phosphate

> <IUPAC_NAME>
O-phosphono-L-threonine

> <FORMULA>
C4H10NO6P

> <MASS>
199.09910

> <MONOISOTOPIC_MASS>
199.02457

> <CHARGE>
0

> <SMILES>
C[C@@H](OP(O)(O)=O)[C@H](N)C(O)=O

> <INCHI>
InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1

> <INCHIKEY>
USRGIUJOYOXOQJ-GBXIJSLDSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1727078

> <CAS_REGISTRY_NUMBER>
1114-81-4

> <REAXYS_REGISTRY_NUMBER>
1727078

> <CHEMIDPLUS>
1114-81-4

> <KEGG_COMPOUND_ACCESSION>
C12147

> <PDBECHEM_ACCESSION>
TPO

> <PUBMED_CITATION>
11782793; 15022197; 15745821; 16289358; 16445015; 16534760; 17087151; 21440422; 7541792; 8756262

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