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 49137  1  0  0  0  0
 50 53  1  0  0  0  0
 50138  1  0  0  0  0
 50139  1  0  0  0  0
 51 54  1  0  0  0  0
 51140  1  0  0  0  0
 51141  1  0  0  0  0
 52 55  2  0  0  0  0
 52142  1  0  0  0  0
 53143  1  0  0  0  0
 54 56  1  0  0  0  0
 54144  1  0  0  0  0
 54145  1  0  0  0  0
 55146  1  0  0  0  0
 56 57  1  0  0  0  0
 56147  1  0  0  0  0
 56148  1  0  0  0  0
 57149  1  0  0  0  0
 57150  1  0  0  0  0
 57151  1  0  0  0  0
M  CHG  2   7  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
53480769

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
959

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
46

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB+OAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAACAACBThgAYCCAMABRCIQCDSCIAACAAgIAAICAEIAAgDABIAAQACAAAFgAAaAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[2-docosanoyloxy-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylammonio)ethyl phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
[3-[(1Z,11Z)-octadeca-1,11-dienoxy]-2-(1-oxodocosoxy)propyl] 2-(trimethylammonio)ethyl phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
[2-docosanoyloxy-3-[(1<I>Z</I>,11<I>Z</I>)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

> <PUBCHEM_IUPAC_NAME>
[2-docosanoyloxy-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[2-docosanoyloxy-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-docosanoyloxy-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylammonio)ethyl phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h17,19,40,43,47H,6-16,18,20-39,41-42,44-46H2,1-5H3/b19-17-,43-40-

> <PUBCHEM_IUPAC_INCHIKEY>
WHHKBOSTSUCUSE-WMUWNWGGSA-N

> <PUBCHEM_XLOGP3_AA>
17.4

> <PUBCHEM_EXACT_MASS>
827.67679134

> <PUBCHEM_MOLECULAR_FORMULA>
C48H94NO7P

> <PUBCHEM_MOLECULAR_WEIGHT>
828.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC=CCCCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO/C=C\CCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

> <PUBCHEM_CACTVS_TPSA>
94.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
827.67679134

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
57

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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>
43  47  3

$$$$
