LMGP10010081
  LIPID_MAPS_STRUCTURE_DATABASE

 46 45  0  0  0  0  0  0  0  0999 V2000
   19.7912    7.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0790    7.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3667    7.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6546    7.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6546    8.4373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2028    6.4919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3795    6.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9425    7.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5035    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2158    7.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9791    7.1869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2292    7.4922    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   21.8664    6.8633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2292    8.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6335    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6335    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9213    6.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2032    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4854    6.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7675    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0497    6.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3318    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6140    6.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8962    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1783    6.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4605    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7427    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0248    6.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3070    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5892    6.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8713    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1535    6.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4357    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7178    6.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2251    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5073    7.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7895    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0716    7.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3538    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6360    7.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9181    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2003    7.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4825    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7646    7.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0468    7.6154    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
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15  7  1  0  0  0  0
 12 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  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  2  0  0  0  0
 27 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
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
  8 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
> <LM_ID>
LMGP10010081

> <COMMON_NAME>
PA 13:0/20:1(11Z)

> <SYSTEMATIC_NAME>
1-tridecanoyl-2-(11Z-eicosenoyl)-glycero-3-phosphate

> <FORMULA>
C36H69O8P

> <MASS>
660.47

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphates [GP10]

> <SUB_CLASS>
Diacylglycerophosphates [GP1001]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
PA(33:1); PA(13:0_20:1)

> <INCHI_KEY>
GARGCYNEKYCJGL-ALNMSFLZSA-N

> <INCHI>
InChI=1S/C36H69O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(38)44-34(33-43-45(39,40)41)32-42-35(37)30-28-26-24-22-14-12-10-8-6-4-2/h16-17,34H,3-15,18-33H2,1-2H3,(H2,39,40,41)/b17-16-/t34-/m1/s1

> <SMILES>
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196706

> <ABBREVIATION>
PA 33:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000027076

> <PUBCHEM_COMPOUND_ID>
52928674

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$