Ketcher 05021810442D 1   1.00000     0.00000     0

 21 20  0     0  0            999 V2000
    8.1442  -21.9288    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0103  -21.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764  -21.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7423  -21.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6084  -21.9288    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    9.8764  -22.9289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7423  -20.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8141  -21.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6801  -21.9288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781  -21.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4122  -21.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5461  -21.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9480  -21.9288    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    3.8141  -20.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121  -22.9289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5460  -23.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5460  -24.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6801  -22.9289    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   10.7424  -23.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6084  -22.9289    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   10.7424  -24.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  3  6  1  1     0  0
  4  7  2  0     0  0
 14  8  2  0     0  0
  8  9  1  0     0  0
 11 10  1  0     0  0
 11 15  1  6     0  0
 11 12  1  0     0  0
  9 12  1  0     0  0
 13  8  1  0     0  0
 16 15  1  0     0  0
 18 16  1  0     0  0
 17 16  2  0     0  0
  1 10  1  0     0  0
 19 20  1  0     0  0
  6 19  1  0     0  0
 19 21  2  0     0  0
M  END
> <ID>
CHEBI:140657

> <NAME>
N-acyl-S-1,2-diacyl-sn-glyceryl-L-cysteine residue

> <STAR>
2

> <SYNONYM>
N-acyl-(S-1,2-diacyl-sn-glyceryl)-L-cysteine residue

> <FORMULA>
C9H9NO6SR3

> <MASS>
259.237

> <MONOISOTOPIC_MASS>
259.01506

> <CHARGE>
0

> <SMILES>
S(C[C@@H](C(*)=O)NC(*)=O)C[C@H](OC(*)=O)COC(=O)*

> <METACYC_ACCESSION>
a-mature-triacylated-lipoprotein

> <PUBMED_CITATION>
21676878

$$$$