Np mrd loader

Showing NP-Card for PA(P-16:0e/18:2(9Z,12Z)) (NP0338709)

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Record Information
Version2.0
Created at2024-09-11 17:11:48 UTC
Updated at2024-09-11 17:11:48 UTC
NP-MRD IDNP0338709
Secondary Accession NumbersNone
Natural Product Identification
Common NamePA(P-16:0e/18:2(9Z,12Z))
DescriptionPA(P-16:0E/18:2(9Z,12Z)) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(P-16:0E/18:2(9Z,12Z)), in particular, consists of one 1Z-hexadecenyl chain to the C-1 atom, and one 9Z,12Z-octadecadienoyl to the C-2 atom. The oleic acid moiety is derived from vegetable oils, especially olive and canola oil, while the oleic acid moiety is derived from vegetable oils, especially olive and canola oil. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0338709 (PA(P-16:0e/18:2(9Z,12Z)))


  Mrv0541 02241223412D          

 46 45  0  0  1  0            999 V2000
   -3.3768   -4.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5667   -4.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -4.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2164   -4.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6763   -3.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1338   -3.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6739   -3.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840   -3.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -2.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342   -2.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3743   -2.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1845   -2.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7246   -1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5347   -1.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748   -1.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8849   -1.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -0.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2351   -0.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7752   -0.2861    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5052    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6950    0.6494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.2046    1.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6454    1.1589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5854   -0.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8554    0.9612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9356    0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4757    0.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2858    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8259    1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6360    0.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1761    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9862    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5263    2.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3365    1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8766    2.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6065    3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1466    3.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8766    4.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4167    5.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6867    6.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4167    7.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3153    0.3375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  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
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  8  9  1  0  0  0  0
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 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 19 46  1  1  0  0  0
M  END
Download

3D MOL for NP0338709 (PA(P-16:0e/18:2(9Z,12Z)))

Download
3D SDF for NP0338709 (PA(P-16:0e/18:2(9Z,12Z)))

  Mrv0541 02241223412D          

 46 45  0  0  1  0            999 V2000
   -3.3768   -4.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5667   -4.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -4.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2164   -4.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6763   -3.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1338   -3.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6739   -3.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840   -3.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -2.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342   -2.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3743   -2.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1845   -2.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7246   -1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5347   -1.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748   -1.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8849   -1.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -0.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2351   -0.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7752   -0.2861    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5052    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6950    0.6494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.2046    1.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6454    1.1589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1550    2.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5854   -0.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1254    0.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8554    0.9612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9356    0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4757    0.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2858    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8259    1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6360    0.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1761    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9862    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5263    2.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3365    1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8766    2.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6065    3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1466    3.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8766    4.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4167    5.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1466    6.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6867    6.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4167    7.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3153    0.3375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  4  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 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
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 19 26  1  6  0  0  0
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 31 32  1  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
 36 35  1  4  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 39 38  1  4  0  0  0
 39 40  2  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
 19 46  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0338709

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@](COC=CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCC=CCC=CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,33,36H,3-10,12,14-16,18,20-30,32,34-35H2,1-2H3,(H2,39,40,41)/t36-/m1/s1

> <INCHI_KEY>
OLCTYLMZTXKGKH-PSXMRANNSA-N

> <FORMULA>
C37H69O7P

> <MOLECULAR_WEIGHT>
656.9133

> <EXACT_MASS>
656.478091074

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
82.48160386638688

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-3-(hexadec-1-en-1-yloxy)-2-(octadeca-9,12-dienoyloxy)propoxy]phosphonic acid

> <ALOGPS_LOGP>
9.27

> <JCHEM_LOGP>
12.437596408333334

> <ALOGPS_LOGS>
-6.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.343601290135017

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3177731688714087

> <JCHEM_PKA_STRONGEST_BASIC>
-4.731743393189193

> <JCHEM_POLAR_SURFACE_AREA>
102.29000000000002

> <JCHEM_REFRACTIVITY>
190.3455

> <JCHEM_ROTATABLE_BOND_COUNT>
35

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.32e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-(hexadec-1-en-1-yloxy)-2-(octadeca-9,12-dienoyloxy)propoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0338709 (PA(P-16:0e/18:2(9Z,12Z)))
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PDB for NP0338709 (PA(P-16:0e/18:2(9Z,12Z)))
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -6.303  -8.392   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.791  -8.683   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.783  -7.519   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.271  -7.810   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.262  -6.646   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.250  -6.937   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.258  -5.773   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.770  -6.064   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.778  -4.899   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.291  -5.190   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.299  -4.026   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.811  -4.317   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.819  -3.153   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.331  -3.444   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.340  -2.280   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.852  -2.571   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      13.860  -1.407   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      15.372  -1.698   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      16.380  -0.534   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      15.876   0.921   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      14.364   1.212   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0      13.860   2.667   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      15.315   3.171   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      12.405   2.163   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      13.356   4.123   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      17.893  -0.825   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      18.901   0.339   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      18.397   1.794   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      20.413   0.048   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      21.421   1.212   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      22.933   0.921   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      23.942   2.085   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      25.454   1.794   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      26.462   2.958   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      27.974   2.667   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      28.982   3.832   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      30.495   3.541   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      31.503   4.705   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      30.999   6.160   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      32.007   7.324   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      31.503   8.779   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      32.511   9.943   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      32.007  11.398   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      33.015  12.562   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      32.511  14.018   0.000  0.00  0.00           C+0
HETATM   46  H   UNK     0      17.389   0.630   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   26   46                                             
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22                                                            
CONECT   26   19   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44                                                            
CONECT   46   19                                                            
MASTER        0    0    0    0    0    0    0    0   46    0   90    0
END

Download
3D PDB for NP0338709 (PA(P-16:0e/18:2(9Z,12Z)))
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SMILES for NP0338709 (PA(P-16:0e/18:2(9Z,12Z)))
[H][C@@](COC=CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCC=CCC=CCCCCC
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INCHI for NP0338709 (PA(P-16:0e/18:2(9Z,12Z)))
InChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,33,36H,3-10,12,14-16,18,20-30,32,34-35H2,1-2H3,(H2,39,40,41)/t36-/m1/s1
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View in JSmol
SynonymsNot Available
Chemical FormulaC37H69O7P
Average Mass656.9133 Da
Monoisotopic Mass656.47809 Da
IUPAC Name[(2R)-3-(hexadec-1-en-1-yloxy)-2-(octadeca-9,12-dienoyloxy)propoxy]phosphonic acid
Traditional Name(2R)-3-(hexadec-1-en-1-yloxy)-2-(octadeca-9,12-dienoyloxy)propoxyphosphonic acid
CAS Registry NumberNot Available
SMILES
[H][C@@](COC=CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCC=CCC=CCCCCC
InChI Identifier
InChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,33,36H,3-10,12,14-16,18,20-30,32,34-35H2,1-2H3,(H2,39,40,41)/t36-/m1/s1
InChI KeyOLCTYLMZTXKGKH-PSXMRANNSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1-(1z-alkenyl),2-acyl-glycerophosphates. These are glycerophosphates that carry exactly one acyl chain attached to the glycerol moiety through an ester linkage at the O2-position,  and one 1Z-alkenyl chain attached through an ether linkage at the O1-position.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassGlycerophospholipids  
Sub ClassGlycerophosphates  
Direct Parent1-(1Z-alkenyl),2-acyl-glycerophosphates  
Alternative Parents
Substituents
  • 1-(1z-alkenyl),2-acyl-glycerol-3-phosphate
    • 

  • Glycerol vinyl ether
    • 

  • Monoalkyl phosphate
    • 

  • Fatty acid ester
    • 

  • Fatty acyl
    • 

  • Alkyl phosphate
    • 

  • Phosphoric acid ester
    • 

  • Organic phosphoric acid derivative
    • 

  • Carboxylic acid ester
    • 

  • Monocarboxylic acid or derivatives
    • 

  • Carboxylic acid derivative
    • 

  • Organic oxygen compound
    • 

  • Organic oxide
    • 

  • Hydrocarbon derivative
    • 

  • Organooxygen compound
    • 

  • Carbonyl group
    • 

  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP9.27ALOGPS
logP12.44ChemAxon
logS-6.9ALOGPS
pKa (Strongest Acidic)1.32ChemAxon
pKa (Strongest Basic)-4.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area102.29 ŲChemAxon
Rotatable Bond Count35ChemAxon
Refractivity190.35 m³·mol⁻¹ChemAxon
Polarizability82.48 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB027930  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound90967930  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available