PS(16:0/16:0)
  Mrv1652303302019432D          

 50 49  0  0  0  0            999 V2000
   18.2283   -4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5532   -4.5893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8780   -4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9034   -4.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2028   -4.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785   -4.1995    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.1887   -3.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9683   -4.8746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2536   -3.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9287   -4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6038   -3.8097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.6037   -2.9847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3182   -4.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3183   -5.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0327   -3.8096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5532   -5.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4884   -4.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4884   -3.4053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7742   -4.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0601   -4.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3460   -4.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6319   -4.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9177   -4.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2036   -4.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4895   -4.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7754   -4.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0613   -4.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3471   -4.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330   -4.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9189   -4.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2048   -4.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4907   -4.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7765   -4.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8387   -5.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8387   -6.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1246   -5.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4105   -5.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6964   -5.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9822   -5.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2681   -5.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5540   -5.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8399   -5.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1258   -5.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4116   -5.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6975   -5.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9834   -5.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2693   -5.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5551   -5.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8410   -5.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1269   -5.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  6  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  2 16  1  6  0  0  0
  5 17  1  0  0  0  0
 16 34  1  0  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  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB01251

> <DATABASE_NAME>
YMDB

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C38H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45)/t34-,35+/m1/s1

> <INCHI_KEY>
KLFKZIQAIPDJCW-GPOMZPHUSA-N

> <FORMULA>
C38H74NO10P

> <MOLECULAR_WEIGHT>
735.981

> <EXACT_MASS>
735.505034585

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
124

> <JCHEM_AVERAGE_POLARIZABILITY>
88.45142032563002

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-3-({[(2R)-2,3-bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid

> <ALOGPS_LOGP>
4.32

> <JCHEM_LOGP>
9.49350676556594

> <ALOGPS_LOGS>
-6.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.17839601565545

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4680339991787528

> <JCHEM_PKA_STRONGEST_BASIC>
9.376604467850061

> <JCHEM_POLAR_SURFACE_AREA>
171.68

> <JCHEM_REFRACTIVITY>
196.83380000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
40

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.05e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dipalmitoyl phosphatidylserine

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB01251

> <GENERIC_NAME>
PS(16:0/16:0)

> <SYNONYMS>
1-D-phosphatidyl-L-serine; 1,2-Diacyl-sn-glycerol 3-phospho-L-serine; 1,2-dipalmitoyl-rac-glycero-3-phosphoserine; 1,2-Dipalmitoylglycerophosphorylserine; 1,2-Dipalmitoylphosphatidylserine; 3-L-phosphatidyl-L-serine; 3-O-sn-Phosphatidyl-L-serine; 3-sn-phosphatidyl-L-serines; Dipalmitoyl-DL-a-phosphatidyl-L-serine; Dipalmitoyl-DL-alpha-phosphatidyl-L-serine; Dipalmitoylglycerophosphoserine; Dipalmitoylphosphatidylserine; DL-a-Dipalmitoyl phosphatidyl-L-serine; DL-alpha-Dipalmitoyl phosphatidyl-L-serine; DPPS; L-alpha-phosphatidylserine; O3-Phosphatidyl-L-serine; Phosphatidyl-L-serine; Phosphatidylserine; Phosphatidylserine (16:0/16:0); Phosphatidylserine (32:0); Phosphatidylserine(16:0/16:0); Phosphatidylserine(32:0); PS(16:0/16:0); PS(32:0); PSer(16:0/16:0); PSer(32:0)

$$$$