LMGP04100031
  LIPID_MAPS_STRUCTURE_DATABASE

 53 52  0     0  0            999 V2000
   23.8723    9.9973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5920   10.8441    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   25.2058   11.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8936   11.7177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2858   10.2676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8950   12.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8299   13.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9025   12.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4814    7.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2113    8.6435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0016    8.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1063    9.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8926    9.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5176    7.7503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5185   13.9843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2723   13.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0918   13.1597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6197    7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7603    7.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9006    7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0409    7.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1812    7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3213    7.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4616    7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    7.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7423    7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8825    7.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0229    7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1632    7.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3034    7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4438    7.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5817    7.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7165    7.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4466   14.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4466   15.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5732   13.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6994   14.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8255   13.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9518   14.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0779   13.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2040   14.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3302   13.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4564   14.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5826   14.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7087   13.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8349   14.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9611   13.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0872   14.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2135   13.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3396   14.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8522    7.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9845    7.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6224    6.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  1 13  1  0  0  0  0
  7 15  1  1  0  0  0
  7 16  1  6  0  0  0
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 11  9  1  1  0  0  0
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 28 29  1  0  0  0  0
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  9 18  1  0  0  0  0
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 18 53  2  0     0  0
M  END
> <LM_ID>
LMGP04100031

> <COMMON_NAME>
LBPA 18:0/16:1(9Z)

> <SYSTEMATIC_NAME>
2-octadecanoyl-3-lyso-sn-glycero-1-phospho-(2'-(9Z-hexadecenoyl)-3'-lyso-1'-sn-glycerol)

> <FORMULA>
C40H77O10P

> <MASS>
748.53

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphoglycerols [GP04]

> <SUB_CLASS>
Monoacylglycerophosphomonoradylglycerols [GP0410]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
BMP(18:0/16:1(9Z))

> <INCHI_KEY>
XNWKITWJAJAJSQ-GVCMQGFHSA-N

> <INCHI>
InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(34-42)36-48-51(45,46)47-35-37(33-41)49-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,37-38,41-42H,3-13,15,17-36H2,1-2H3,(H,45,46)/b16-14-/t37-,38-/m0/s1

> <SMILES>
O(P(OC[C@](OC(CCCCCCC/C=C\CCCCCC)=O)([H])CO)(O)=O)C[C@@]([H])(OC(=O)CCCCCCCCCCCCCCCCC)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
LBPA 34:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
40790030

$$$$