108156
  -OEChem-05302104202D

 89 88  0     1  0  0  0  0  0999 V2000
    6.3301   -6.5670    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -7.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -6.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -6.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -5.7010    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8301   -7.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -5.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.5670    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.2583    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -7.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -7.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -5.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    5.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    6.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -6.0670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7224    7.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -6.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -6.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -6.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4704    0.8504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8689    1.5407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1803    1.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7817    0.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0463    3.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6477    2.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6044   -0.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0029    0.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3142    0.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8291   -5.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0685    5.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4670    6.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -6.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -6.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822   -2.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836   -3.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6444    7.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2458    6.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162   -4.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176   -5.1746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -5.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6636   -7.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -7.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163   -7.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -6.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363   -6.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 30  1  0  0  0  0
  4 33  1  0  0  0  0
 31  5  1  1  0  0  0
  5 34  1  0  0  0  0
  8 34  2  0  0  0  0
  9 19  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 16  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 18  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 20  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 21  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 27  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 22  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 26  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 28  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 26 29  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 29 32  1  0  0  0  0
 29 77  1  0  0  0  0
 29 78  1  0  0  0  0
 30 31  1  0  0  0  0
 30 79  1  0  0  0  0
 30 80  1  0  0  0  0
 31 33  1  0  0  0  0
 31 81  1  0  0  0  0
 32 82  1  0  0  0  0
 32 83  1  0  0  0  0
 32 84  1  0  0  0  0
 33 85  1  0  0  0  0
 33 86  1  0  0  0  0
 34 35  1  0  0  0  0
 35 87  1  0  0  0  0
 35 88  1  0  0  0  0
 35 89  1  0  0  0  0
M  CHG  2   6  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
108156

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
546

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
26

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6OAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAACAACBThgAYCCAMABRAIQACQCIAAAAAAAAAAAAAIAAADAAIAAAACAAAFAAASAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R)-2-acetoxy-3-hexadecoxy-propyl] 2-(trimethylammonio)ethyl phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
[(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-(trimethylammonio)ethyl phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>)-2-acetyloxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

> <PUBCHEM_IUPAC_NAME>
[(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R)-2-acetyloxy-3-hexadecoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R)-2-acetoxy-3-cetyloxy-propyl] 2-(trimethylammonio)ethyl phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HVAUUPRFYPCOCA-AREMUKBSSA-N

> <PUBCHEM_XLOGP3_AA>
6.5

> <PUBCHEM_EXACT_MASS>
523.36379006

> <PUBCHEM_MOLECULAR_FORMULA>
C26H54NO7P

> <PUBCHEM_MOLECULAR_WEIGHT>
523.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C

> <PUBCHEM_CACTVS_TPSA>
94.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
523.36379006

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
31  5  5

$$$$
