LMGP02050076
  LIPID_MAPS_STRUCTURE_DATABASE

 36 35  0     0  0            999 V2000
   27.9133    5.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0030    5.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0921    5.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1818    5.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1818    6.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4396    4.3342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3869    4.3342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2716    5.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8240    5.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7347    5.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9888    5.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.8997    4.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8102    5.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7207    4.6972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.0302    5.6129    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   30.5663    4.8091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0302    6.5717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3544    5.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4367    5.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5188    5.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6011    5.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6835    5.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7656    5.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8479    5.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9304    5.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0127    5.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0950    5.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1771    5.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2596    5.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3421    5.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6625    6.2139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4480    6.1615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.5099    6.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3215    6.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4776    5.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6100    5.7651    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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  2 31  1  0     0  0
  2 32  1  0     0  0
  9 33  1  0     0  0
  9 34  1  0     0  0
 30 35  1  0     0  0
 35 36  1  0     0  0
M  ISO  5   6   2  31   2  32   2  33   2  34   2
M  END
> <LM_ID>
LMGP02050076

> <COMMON_NAME>
PE 17:0/0:0-d5

> <SYSTEMATIC_NAME>
1-heptadecanoyl-sn-glycero-3-phosphoethanolamine-1,1,2,3,3-d5

> <FORMULA>
C22H41D5NO7P

> <MASS>
472.33

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphoethanolamines [GP02]

> <SUB_CLASS>
Monoacylglycerophosphoethanolamines [GP0205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-heptadecanoyl-2-hydroxy-sn-glycero(d5)-3-phosphoethanolamine

> <INCHI_KEY>
RVNBVQKDPQVSOY-SFQZDBTHSA-N

> <INCHI>
InChI=1S/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)/t21-/m1/s1/i19D2,20D2,21D

> <SMILES>
[C@](C([2H])([2H])OP(=O)(O)OCCN)([2H])(O)C([2H])([2H])OC(CCCCCCCCCCCCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
182799

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
146171619

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$