Marvin  05010815162D          

 22 21  0  0  1  0            999 V2000
    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
    0.7145    0.2221    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1904    0.0000 C   0  0  3  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
   -0.7145    0.2221    0.0000 C   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
    1.4289   -0.1904    0.0000 O   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
   -2.8579   -0.1904    0.0000 O   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
   -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 N   0  3  3  0  0  0  0  0  0  0  0  0
   -2.1433   -1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5721    1.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146    1.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433   -2.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -1.0153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -1.0153    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 16  3  2  0  0  0  0
  3 21  1  0  0  0  0
  4 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
 15  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  3  1  0  0  0  0
  7 10  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
  3 11  1  0  0  0  0
 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
 13  2  1  0  0  0  0
 17 13  1  0  0  0  0
 13 22  1  0  0  0  0
 14 19  1  0  0  0  0
 20 14  1  0  0  0  0
 18 14  2  0  0  0  0
M  CHG  1  13   1
M  RGP  2  12   1  20   2
M  END
> <ID>
CHEBI:49183

> <NAME>
phosphatidylcholine(1+)

> <DEFINITION>
A glycerophosphocholine compound having O-acyl substituents at both the 1- and 2-positions of the glycerol. It is a major constituent of cell membranes.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:36705; CHEBI:14802

> <SYNONYM>
Phospholutein; phosphatidylcholines; Phosphatidyl-N-trimethylethanolamine; PC; Lecithol; Lecithin; Choline phosphatide; 3-sn-Phosphatidylcholine; 1,2-Diacyl-sn-glycero-3-phosphocholine

> <FORMULA>
C10H19NO8PR2

> <MASS>
312.234

> <MONOISOTOPIC_MASS>
312.08483

> <CHARGE>
1

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

> <CAS_REGISTRY_NUMBER>
8002-43-5

> <CHEMIDPLUS>
8002-43-5

> <KEGG_COMPOUND_ACCESSION>
C00157

> <WIKIPEDIA_ACCESSION>
Phosphatidylcholine

> <PUBMED_CITATION>
11306571; 11394647; 11829744; 14756787; 14761824; 15008874; 15223015; 16484204; 16829536; 16882035; 18614529; 19843309; 22809594; 22922101; 23207112; 23452035; 23519169; 23543734; 3196084

$$$$