ChEBI


 13 12  0  0  1  0  0  0  0  0  1 V2000
   27.8329  -25.2352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0738  -24.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5292  -26.5652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.2256  -26.5652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6811  -23.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5292  -25.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2256  -25.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6811  -24.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3774  -24.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9220  -25.2352    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.7702  -25.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5870  -26.3870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2569  -24.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  6  3  1  1  0  0  0
  7  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <ID>
CHEBI:15836

> <NAME>
4-phospho-L-aspartic acid

> <DEFINITION>
The 4-phospho derivative of L-aspartic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:21246; CHEBI:13062; CHEBI:1925; CHEBI:20472

> <SYNONYM>
L-aspart-4-yl phosphate; L-4-Aspartyl phosphate; 4-phospho-L-aspartic acid

> <IUPAC_NAME>
L-beta-aspartyl dihydrogen phosphate; 4-oxo-O-phosphono-L-homoserine; (2S)-2-amino-4-oxo-4-(phosphonooxy)butanoic acid

> <FORMULA>
C4H8NO7P

> <MASS>
213.08262

> <MONOISOTOPIC_MASS>
213.00384

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1

> <INCHIKEY>
IXZNKTPIYKDIGG-REOHCLBHSA-N

> <CAS_REGISTRY_NUMBER>
22138-53-0

> <KEGG_COMPOUND_ACCESSION>
C03082

> <KNAPSACK_ACCESSION>
C00007471

> <PDBECHEM_ACCESSION>
PHD

$$$$