LMGP01011229
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0  0  0  0  0  0  0  0999 V2000
   10.7091    7.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9983    7.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2872    7.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5765    7.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5765    8.4314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1200    6.4897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2982    6.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8657    7.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4202    7.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1311    7.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8911    7.1834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6020    6.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3130    7.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0239    6.7729    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   16.7350    7.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0239    5.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7350    6.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1427    7.4881    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.7805    6.8603    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.1427    8.2367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5535    6.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5535    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8427    6.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1258    6.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4093    6.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6928    6.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9762    6.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1495    7.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4330    7.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7165    7.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.2008    0.0000 C   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  2  0  0  0  0
  4  8  1  0  0  0  0
  1  7  1  6  0  0  0
  1  6  1  1  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 11  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21  7  1  0  0  0  0
 18 10  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  8 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  CHG  2  14   1  19  -1
M  END
> <LM_ID>
LMGP01011229

> <COMMON_NAME>
PC 6:0/6:0

> <SYSTEMATIC_NAME>
1,2-dihexanoyl-sn-glycero-3-phosphocholine

> <FORMULA>
C20H40NO8P

> <MASS>
453.25

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphocholines [GP01]

> <SUB_CLASS>
Diacylglycerophosphocholines [GP0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1,2-Dihexanoyl-L-alpha-glycerophosphorylcholine; 1,2-Dihexanoyl-sn-3-glycerophosphocholine; 1,2-Dihexanoyl-sn-glycerol-3-phosphocholine; Dicaproyl-L-alpha-lecithin; Dihexanoyllecithin; L-alpha-Dihexanoyllecithin; L-alpha-Dihexanoylphosphatidylcholine; L-1,2-Dihexanoyllecithin; PC(12:0); PC(6:0/6:0)

> <INCHI_KEY>
DVZARZBAWHITHR-GOSISDBHSA-N

> <INCHI>
InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/t18-/m1/s1

> <SMILES>
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCC)=O)COC(CCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
138194

> <ABBREVIATION>
PC 12:0

> <CAYMAN_ID>
25585

> <SWISSLIPIDS_ID>
SLM:000012486

> <PUBCHEM_COMPOUND_ID>
10072611

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$