Marvin  06220818052D          

 17 16  0  0  0  0            999 V2000
    2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2292    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7145    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  2  1  0  0  0  0
  2 14  1  1  0  0  0
  3 10  2  0  0  0  0
  3  4  1  0  0  0  0
  5  2  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
 12  9  2  0  0  0  0
  9 13  1  0  0  0  0
 14 16  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <ID>
CHEBI:16878

> <NAME>
N-acetyl-L-gamma-glutamyl phosphate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12576; CHEBI:21550; CHEBI:12441; CHEBI:7151

> <SYNONYM>
N-acetyl-L-glutamyl 5-phosphate; N-Acetyl-L-glutamyl 5-phosphate; N-acetyl-L-glutamate 5-phosphate; N-Acetyl-L-glutamate 5-phosphate; N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline; N-acetyl-5-glutamyl phosphate

> <IUPAC_NAME>
(2S)-2-acetamido-5-oxo-5-(phosphonooxy)pentanoic acid

> <FORMULA>
C7H12NO8P

> <MASS>
269.14588

> <MONOISOTOPIC_MASS>
269.03005

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1

> <INCHIKEY>
FCVIHFVSXHOPSW-YFKPBYRVSA-N

> <KEGG_COMPOUND_ACCESSION>
C04133

> <PDBECHEM_ACCESSION>
X2W

$$$$