89566
  -OEChem-05302104192D

 66 65  0     1  0  0  0  0  0999 V2000
    3.4030   -0.4050    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8574    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7235   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0598    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2628    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1288   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9258   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3967   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1938   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7919    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9948    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8608   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6579   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5239    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7269    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5929   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3899   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2560    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4589    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3249   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1220   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8995   -0.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1264    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2795    0.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    0.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 24  2  0  0  0  0
  4 26  1  0  0  0  0
  4 64  1  0  0  0  0
  5 27  1  0  0  0  0
  6 65  1  0  0  0  0
  7 66  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 18  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 19  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 20  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 22  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 23  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 24  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 25 26  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 27  1  0  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
89566

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
398

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
20

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAICCAAABxAIQACQCIAAAAAAAAAAAAEAAAABEBIAAAACAAAFAAADAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-hydroxy-3-phosphonooxy-propyl) hexadecanoate

> <PUBCHEM_IUPAC_CAS_NAME>
hexadecanoic acid (2-hydroxy-3-phosphonooxypropyl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-hydroxy-3-phosphonooxypropyl) hexadecanoate

> <PUBCHEM_IUPAC_NAME>
(2-hydroxy-3-phosphonooxypropyl) hexadecanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-oxidanyl-3-phosphonooxy-propyl) hexadecanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
palmitic acid (2-hydroxy-3-phosphonooxy-propyl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
YNDYKPRNFWPPFU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
410.24334058

> <PUBCHEM_MOLECULAR_FORMULA>
C19H39O7P

> <PUBCHEM_MOLECULAR_WEIGHT>
410.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
410.24334058

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
26  4  3

$$$$
