C00157


Entry
C00157                      Compound                               
Name
Phosphatidylcholine;
Lecithin;
Phosphatidyl-N-trimethylethanolamine;
1,2-Diacyl-sn-glycero-3-phosphocholine;
Choline phosphatide;
3-sn-Phosphatidylcholine
Formula
C10H18NO8PR2
Structure
Comment
Generic compound in reaction hierarchy
Reaction
R01309 R01310 R01312 R01313 R01314 R01315 R01316 R01317
R01318 R01319 R01320 R01321 R02114 R04227 R04514 R05794
R07064 R07377 R07859 R07860 R08387 R08969
Pathway
map00564  Glycerophospholipid metabolism
map00590  Arachidonic acid metabolism
map00591  Linoleic acid metabolism
map00592  alpha-Linolenic acid metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map04723  Retrograde endocannabinoid signaling
map05231  Choline metabolism in cancer
Module
M00090  Phosphatidylcholine (PC) biosynthesis, choline => PC
M00091  Phosphatidylcholine (PC) biosynthesis, PE => PC
Enzyme
2.1.1.16        2.1.1.71        2.3.1.23        2.3.1.43        
2.3.1.62        2.3.1.83        2.3.1.135       2.7.8.2         
2.7.8.24        2.7.8.27        3.1.1.4         3.1.1.5         
3.1.1.32        3.1.4.3         3.1.4.4
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Phospholipids
   Glycerophospholipids
    C00157  Phosphatidylcholine; Lecithin
Lipids [BR:br08002]
 GP  Glycerophospholipids
  GP01 Glycerophosphocholines
   GP0101 Diacylglycerophosphocholines
    C00157  1,2-Diacyl-sn-glycero-3-phosphocholine
Other DBs
CAS: 8002-43-5
PubChem: 3457
ChEBI: 16110 49183
KCF data

ATOM        22
            1   P1b P    22.3185  -17.9800
            2   O2b O    20.9987  -17.9800
            3   O2b O    23.6441  -17.9800
            4   O1c O    22.3126  -19.3173 #-
            5   O1c O    22.3243  -16.6602
            6   C1b C    19.6787  -17.9800
            7   C1b C    24.7888  -17.3260
            8   C1c C    19.6671  -16.1522
            9   C1b C    25.9334  -17.9800
            10  O7a O    18.1137  -16.1813
            11  C1b C    19.6787  -14.4409
            12  N1d N    27.0840  -17.3260 #+
            13  C7a C    16.7879  -16.1813
            14  O7a O    20.9987  -14.4409
            15  C1a C    28.8301  -17.8574
            16  C1a C    27.0840  -16.0062
            17  C1a C    27.4227  -18.6048
            18  O6a O    16.7763  -14.8555
            19  R   R    15.4681  -16.1813
            20  C7a C    22.3185  -14.4409
            21  O6a O    22.3126  -13.1211
            22  R   R    23.6441  -14.4409
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     3   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 1
            15   12  16 1
            16   12  17 1
            17   13  18 2
            18   13  19 1
            19   14  20 1
            20   20  21 2
            21   20  22 1