LMGP02050010
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0  0  0  0  0  0  0  0999 V2000
   17.9350    5.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2208    6.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5065    5.9617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7924    6.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7924    7.1984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3479    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5222    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0783    5.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6494    6.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3637    5.9617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1320    5.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8463    5.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5607    5.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2750    5.5321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3800    6.2506    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   20.0162    5.6199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3800    7.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3585    6.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6386    5.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9187    6.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988    5.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4790    6.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7591    5.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0392    6.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193    6.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5994    5.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8795    6.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1597    5.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4398    6.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7199    5.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3741    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  2  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
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <LM_ID>
LMGP02050010

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

> <SYSTEMATIC_NAME>
1-(9Z-hexadecenoyl)-glycero-3-phosphoethanolamine

> <FORMULA>
C21H42NO7P

> <MASS>
451.27

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphoethanolamines [GP02]

> <SUB_CLASS>
Monoacylglycerophosphoethanolamines [GP0205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
LPE(16:1(9Z)/0:0); LPE(16:1)

> <INCHI_KEY>
DSOWUEHXZJUNID-WHXUGTBJSA-N

> <INCHI>
InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26)/b8-7-/t20-/m1/s1

> <SMILES>
[C@](COP(=O)(O)OCCN)([H])(O)COC(CCCCCCC/C=C\CCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0011504

> <CHEBI_ID>
145277

> <ABBREVIATION>
LPE 16:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000030157

> <PUBCHEM_COMPOUND_ID>
52925129

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
19717841

$$$$