Ketcher 03052010562D 1   1.00000     0.00000     0

 23 22  0     1  0            999 V2000
   12.7725   -4.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9122   -3.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0522   -4.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1916   -3.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1916   -2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2695   -4.8957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2752   -4.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6329   -3.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4932   -4.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6567   -4.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5168   -4.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3770   -4.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2374   -4.5117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0978   -4.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2374   -5.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0978   -5.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7508   -3.6463    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.3127   -4.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7508   -2.7407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3740   -5.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3740   -6.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5139   -4.9072    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    9.3321   -4.0367    0.0000 R#  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  2  0     0  0
  1  7  1  6     0  0
  1  6  1  1     0  0
  8  1  1  0     0  0
  9  8  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 13 12  1  0     0  0
 14 13  1  0     0  0
 13 15  1  0     0  0
 13 16  1  0     0  0
 17 10  1  0     0  0
 17 18  1  0     0  0
 17 19  2  0     0  0
 20 21  2  0     0  0
 20 22  1  0     0  0
 20  7  1  0     0  0
  9 17  1  0     0  0
  4 23  1  0     0  0
M  CHG  2  13   1  18  -1
M  RGP  2  22   2  23   1
M  END
> <ID>
CHEBI:57643

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

> <DEFINITION>
The conjugate base of a 1,2-diacyl-sn-glycero-3-phosphocholine compound formed by deprotonation of the phosphate OH group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:59796; CHEBI:64613

> <SYNONYM>
Phosphatidylcholine; PC; lecithin; Diacyl PC; a 1,2-diacyl-sn-glycero-3-phosphocholine; 3-sn-phosphatidylcholines; 3-sn-phosphatidylcholine; 1,2-diacyl-sn-glycero-3-phosphocholines; 1,2-diacyl-sn-glycero-3-phosphocholine betaine

> <FORMULA>
C10H18NO8PR2

> <MASS>
311.226

> <MONOISOTOPIC_MASS>
311.07700

> <CHARGE>
0

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

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGP01010000

$$$$