LMGP02050007
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0  0  0  0  0  0  0  0999 V2000
   15.7292    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0180    6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3066    5.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5957    6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5957    7.1902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1402    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3181    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8847    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4403    6.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1516    5.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9124    5.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6237    5.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3349    5.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0461    5.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1636    6.2464    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.8013    5.6185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1636    6.9952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1679    6.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4512    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7344    6.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0176    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3008    6.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5840    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8672    6.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4336    6.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7169    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3694    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 11  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 10  1  0  0  0  0
  8 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  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMGP02050007

> <COMMON_NAME>
PE 13:0/0:0

> <SYSTEMATIC_NAME>
1-tridecanoyl-sn-glycero-3-phosphoethanolamine

> <FORMULA>
C18H38NO7P

> <MASS>
411.24

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphoethanolamines [GP02]

> <SUB_CLASS>
Monoacylglycerophosphoethanolamines [GP0205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
LPE(13:0)

> <INCHI_KEY>
IJTWJFQIBBDJJI-QGZVFWFLSA-N

> <INCHI>
InChI=1S/C18H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-18(21)24-15-17(20)16-26-27(22,23)25-14-13-19/h17,20H,2-16,19H2,1H3,(H,22,23)/t17-/m1/s1

> <SMILES>
[C@](COP(=O)(O)OCCN)([H])(O)COC(CCCCCCCCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168242

> <ABBREVIATION>
LPE 13:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000030179

> <PUBCHEM_COMPOUND_ID>
42607463

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$