Marvin  02171017002D          

 22 21  0  0  1  0            999 V2000
   -2.4031    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1176   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742    0.2221    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.1692   -0.1904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8837    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3127    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886   -0.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5465   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982   -0.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597   -0.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0271   -0.1904    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8321    0.2221    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.8836   -1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    1.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743    1.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8321    1.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8836   -2.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691   -1.0153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.0153    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742   -0.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5466    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  1  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:16110

> <NAME>
1,2-diacyl-sn-glycero-3-phosphocholine(1+)

> <DEFINITION>
A phosphatidylcholine that is a glycerol phosphatide (phosphoglyceride, glycerophospholipid) in which the hydroxy group of choline is esterified with the phosphate group of phosphatidic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44694; CHEBI:1681; CHEBI:11148; CHEBI:11753; CHEBI:17046; CHEBI:26029; CHEBI:23660; CHEBI:20200; CHEBI:18878; CHEBI:8128

> <SYNONYM>
Phosphatidylcholine; Phosphatidyl-N-trimethylethanolamine; PC; lecithins; Lecithin; L-alpha-phosphatidylcholine; Choline phosphatide; 1,2-diacyl-sn-glycero-3-phosphocholines; 1,2-Diacyl-sn-glycero-3-phosphocholine; (3-sn-phosphatidyl)choline

> <IUPAC_NAME>
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)OC[C@@H](COC([*])=O)OC([*])=O

> <CAS_REGISTRY_NUMBER>
8002-43-5

> <CHEMIDPLUS>
8002-43-5

> <KEGG_COMPOUND_ACCESSION>
C00157

> <PDBECHEM_ACCESSION>
PC1

> <PUBMED_CITATION>
16341241; 3196084; 7192727

$$$$