PGP(10:0/24:1(11Z))
  Mrv1652306231616092D          

 57 56  0  0  1  0            999 V2000
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  -11.5026   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -14.3592   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
YMDB14175

> <DATABASE_NAME>
YMDB

> <SMILES>
[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C40H78O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-40(43)53-38(35-49-39(42)31-29-27-25-10-8-6-4-2)36-52-55(47,48)51-34-37(41)33-50-54(44,45)46/h18-19,37-38,41H,3-17,20-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b19-18-/t37-,38+/m0/s1

> <INCHI_KEY>
AGNSIQKVQRRORP-GFZIUNDHSA-N

> <FORMULA>
C40H78O13P2

> <MOLECULAR_WEIGHT>
828.999

> <EXACT_MASS>
828.491766568

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
133

> <JCHEM_AVERAGE_POLARIZABILITY>
95.80149811626816

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2S)-3-({[(2R)-3-(decanoyloxy)-2-[(11Z)-tetracos-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

> <ALOGPS_LOGP>
7.16

> <JCHEM_LOGP>
11.340701161333332

> <ALOGPS_LOGS>
-6.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.0402061436989327

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.354879296415124

> <JCHEM_PKA_STRONGEST_BASIC>
-3.410499386302644

> <JCHEM_POLAR_SURFACE_AREA>
195.34999999999997

> <JCHEM_REFRACTIVITY>
216.50039999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
43

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.01e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-3-{[(2R)-3-(decanoyloxy)-2-[(11Z)-tetracos-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB14175

> <GENERIC_NAME>
PGP(10:0/24:1(11Z))

$$$$