LMGP02011133
  LIPID_MAPS_STRUCTURE_DATABASE

 51 50  0  0  0  0  0  0  0  0999 V2000
   20.2732    6.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6410    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0086    6.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6386    6.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9078    6.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7445    6.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9055    7.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5378    6.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1031    6.9384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7354    6.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3677    6.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000    6.5734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4375    7.2094    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   22.1154    6.6512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4375    7.8752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.2455    5.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9764    5.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3392    6.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7020    5.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0647    6.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4275    5.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7903    6.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1531    5.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5158    6.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8786    5.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2414    6.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9117    6.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    6.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6372    7.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9537    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
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M  END
> <LM_ID>
LMGP02011133

> <COMMON_NAME>
PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0

> <SYSTEMATIC_NAME>
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-tridecanoyl-glycero-3-phosphoethanolamine

> <FORMULA>
C40H68NO8P

> <MASS>
721.47

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphoethanolamines [GP02]

> <SUB_CLASS>
Diacylglycerophosphoethanolamines [GP0201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
PE(35:6); PE(13:0_22:6)

> <INCHI_KEY>
XGZIKOOTGMDBBK-UFPUCFTJSA-N

> <INCHI>
InChI=1S/C40H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-24-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22-23,26,28,38H,3-4,6,8-10,12,14-15,18,21,24-25,27,29-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,17-16-,20-19-,23-22-,28-26-/t38-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
PE 35:6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000032944

> <PUBCHEM_COMPOUND_ID>
52924834

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$