ChEBI


 13 12  0  0  1  0  0  0  0  0  2 V2000
   13.6589  -31.0492    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8998  -30.3842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3552  -32.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0516  -32.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5071  -29.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3552  -31.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0516  -31.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5071  -30.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2034  -30.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7480  -31.0492    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5961  -31.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4130  -32.2010    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0829  -29.8974    0.0000 O   0  5  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  CHG  3   1  -1  12  -1  13  -1
M  END
> <ID>
CHEBI:30407

> <NAME>
4-phospho-L-aspartate

> <DEFINITION>
An L-α-amino acid anion arsing from deprotonation of the carboxy and phosphate OH groups of 4-phospho-L-aspartic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12042; CHEBI:20471

> <SYNONYM>
4-phospho-L-aspartate

> <IUPAC_NAME>
(2S)-2-amino-4-oxo-4-(phosphonatooxy)butanoate

> <FORMULA>
C4H5NO7P

> <MASS>
210.05880

> <MONOISOTOPIC_MASS>
209.98201

> <CHARGE>
-3

> <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)/p-3/t2-/m0/s1

> <INCHIKEY>
IXZNKTPIYKDIGG-REOHCLBHSA-K

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