LysoPC(20:4(5Z,8Z,11Z,14Z)/0:0)
  Mrv1652304202020512D          

 37 36  0  0  0  0            999 V2000
   23.3644   -6.5407    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   23.3644   -7.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1894   -6.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9038   -6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6183   -6.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3328   -6.1282    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   27.0473   -5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7453   -6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9203   -5.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6620   -6.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3644   -5.7157    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.9475   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2330   -6.5288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.5185   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8041   -6.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2330   -7.3538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0896   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0896   -5.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3755   -6.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6614   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9472   -6.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2331   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4081   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6940   -6.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9799   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1549   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4408   -6.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7266   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9016   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -6.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4734   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6484   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9343   -6.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5060   -6.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7919   -6.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0778   -6.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 10 12  1  0  0  0  0
 13 16  1  6  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  CHG  2   6   1  11  -1
M  END
> <DATABASE_ID>
YMDB02213

> <DATABASE_NAME>
YMDB

> <SMILES>
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,18-19,27,30H,5-8,11,14,17,20-26H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t27-/m1/s1

> <INCHI_KEY>
LAXQYRRMGGEGOH-JXRLJXCWSA-N

> <FORMULA>
C28H50NO7P

> <MOLECULAR_WEIGHT>
543.6729

> <EXACT_MASS>
543.332489471

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
60.981290302207164

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-{[(2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium

> <ALOGPS_LOGP>
2.45

> <JCHEM_LOGP>
1.5233305101949206

> <ALOGPS_LOGS>
-6.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.655609234867157

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8553406136269377

> <JCHEM_PKA_STRONGEST_BASIC>
-3.404003371460023

> <JCHEM_POLAR_SURFACE_AREA>
105.12

> <JCHEM_REFRACTIVITY>
165.14410000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
24

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.89e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2-{[(2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB02213

> <GENERIC_NAME>
LysoPC(20:4(5Z,8Z,11Z,14Z))

> <SYNONYMS>
 1-arachidonoyl-glycero-3-phosphocholine;  LPC(20:4);  LPC(20:4/0:0);  LPC(20:4n6/0:0);  LPC(20:4w6/0:0);  LyPC(20:4);  LyPC(20:4/0:0);  LyPC(20:4n6/0:0);  LyPC(20:4w6/0:0);  LysoPC(20:4);  LysoPC(20:4/0:0);  LysoPC(20:4n6/0:0);  Lysophosphatidylcholine(20:4);  Lysophosphatidylcholine(20:4/0:0);  Lysophosphatidylcholine(20:4n6/0:0);  Lysophosphatidylcholine(20:4w6/0:0); LysoPC(20:4w6/0:0)

$$$$