LMGL03013298
  LIPID_MAPS_STRUCTURE_DATABASE

 54 53  0  0  0  0  0  0  0  0999 V2000
   16.9271    7.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2118    6.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4969    7.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7816    6.9550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0666    7.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0666    8.1932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6251    6.2399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7985    6.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0835    5.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0835    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3685    6.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3516    6.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9271    8.1925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5109    8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5109    9.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2261    8.3635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6480    5.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9273    6.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2066    5.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4860    6.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7653    5.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0446    6.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3240    5.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    5.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8827    6.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1620    5.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4413    6.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7207    5.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6310    7.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9104    6.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1897    7.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4690    6.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7484    7.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0277    6.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3070    7.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5864    6.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8657    7.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1451    6.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7909   10.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0702    9.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3495   10.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6289    9.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9082   10.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1875    9.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4669   10.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7462   10.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0255    9.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3049   10.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5842    9.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8636   10.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1429    9.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4222   10.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7016    9.6023    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
  2  8  1  6  0  0  0
  2  7  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 11 17  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  2  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
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 12 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
 35 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
 15 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
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
M  END
> <LM_ID>
LMGL03013298

> <COMMON_NAME>
TG 12:0/15:1(9Z)/17:1(9Z) [iso6]

> <SYSTEMATIC_NAME>
1-dodecanoyl-2-(9Z-pentadecenoyl)-3-(9Z-heptadecenoyl)-sn-glycerol

> <FORMULA>
C47H86O6

> <MASS>
746.64

> <CATEGORY>
Glycerolipids [GL]

> <MAIN_CLASS>
Triradylglycerols [GL03]

> <SUB_CLASS>
Triacylglycerols [GL0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
TG(44:2); TG(12:0_15:1_17:1)

> <INCHI_KEY>
DDXHCSBEDPHFJR-BIQSVJENSA-N

> <INCHI>
InChI=1S/C47H86O6/c1-4-7-10-13-16-19-21-23-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-22-20-17-14-11-8-5-2/h17,20-21,23,44H,4-16,18-19,22,24-43H2,1-3H3/b20-17-,23-21-/t44-/m1/s1

> <SMILES>
C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCCCCCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
TG 44:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56937088

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$