Marvin  05010815262D          

 19 18  0  0  1  0            999 V2000
   -4.2868   -0.1904    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.2221    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    0.7145    0.2221    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4291   -1.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142    1.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5719    1.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2863    0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141   -0.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 15  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4 14  1  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  1  0  0  0  0
  7  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 10  1  0  0  0  0
 11 12  1  0  0  0  0
 17 12  1  0  0  0  0
 12 18  1  0  0  0  0
 13  6  1  0  0  0  0
  8 13  1  0  0  0  0
 16 13  2  0  0  0  0
 13 19  1  0  0  0  0
M  CHG  1  12   1
M  RGP  1   1   1
M  END
> <ID>
CHEBI:17504

> <NAME>
1-O-acyl-sn-glycero-3-phosphocholine(1+)

> <STAR>
3

> <SECONDARY_ID>
CHEBI:52561; CHEBI:587; CHEBI:591; CHEBI:11606; CHEBI:11226; CHEBI:17896; CHEBI:11605; CHEBI:18991; CHEBI:18996

> <SYNONYM>
LPC; alpha-Acylglycerophosphocholine; 2-Lysophosphatidylcholine; 2-Lysolecithin; 1-Acylglycerophosphocholine; 1-Acyl-sn-glycerol-3-phosphocholine; 1-acyl-sn-glycero-3-phosphocholines; 1-Acyl-sn-glycero-3-phosphocholine; 1-acyl-2-lyso-phosphatidylcholine

> <FORMULA>
C9H20NO7PR

> <MASS>
285.23140

> <MONOISOTOPIC_MASS>
285.09774

> <CHARGE>
1

> <SMILES>
C[N+](C)(C)CCOP(O)(=O)OC[C@H](O)COC([*])=O

> <KEGG_COMPOUND_ACCESSION>
C04230

$$$$