24779494
  -OEChem-05302104302D

 87 86  0     1  0  0  0  0  0999 V2000
    6.3301    1.6900    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    2.5560    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8301    0.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6900    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6603    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    1.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    0.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.5140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    2.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    3.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    2.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7971   -1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3986   -0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7099   -0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1085   -1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5760   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9745   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9311    0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5326    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3239    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1210    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6631   -2.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2646   -2.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8439    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2424    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4420   -3.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8405   -4.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6086   -4.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4555   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2286   -3.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    3.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.3100    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  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2 14  1  0  0  0  0
 31  3  1  1  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  7 32  2  0  0  0  0
  8 35  1  0  0  0  0
  8 87  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 20  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 22  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 23  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 24  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 25  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 26  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 27  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 29  1  0  0  0  0
 24 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 28  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 26 30  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 32  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 28 34  1  0  0  0  0
 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 29 30  2  0  0  0  0
 29 77  1  0  0  0  0
 30 78  1  0  0  0  0
 31 33  1  0  0  0  0
 31 35  1  0  0  0  0
 31 79  1  0  0  0  0
 33 80  1  0  0  0  0
 33 81  1  0  0  0  0
 34 82  1  0  0  0  0
 34 83  1  0  0  0  0
 34 84  1  0  0  0  0
 35 85  1  0  0  0  0
 35 86  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
24779494

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
585

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
25

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6OAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACCAACBThgAYCCAMABxCIQCDSCIAAAAAgAAAICAEIAAgDEBIAAQACQAAFgAAbAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
[(2R)-3-hydroxy-2-[(Z)-1-oxooctadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>)-3-hydroxy-2-[(<I>Z</I>)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

> <PUBCHEM_IUPAC_NAME>
[(2R)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-oxidanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SULIDBRAXVDKBU-PTGWMXDISA-N

> <PUBCHEM_XLOGP3_AA>
5.7

> <PUBCHEM_EXACT_MASS>
521.34814000

> <PUBCHEM_MOLECULAR_FORMULA>
C26H52NO7P

> <PUBCHEM_MOLECULAR_WEIGHT>
521.7

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
521.34814000

> <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>
1

> <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  3  5

$$$$
