LMPR02020084
  LIPID_MAPS_STRUCTURE_DATABASE

 29 30  0     0  0            999 V2000
   14.3742    8.5671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2405    9.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1066    8.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9728    9.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1066    7.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2405   10.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1065   10.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1065   11.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9725   12.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2404   12.0672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5071   10.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5071    9.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6399    8.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7726    9.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9054    9.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3116    6.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7377    6.8597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5773    9.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3116   10.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0424    9.0660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9054    8.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9054    7.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0424    7.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3116    9.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1762    8.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1762    7.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3116    7.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4453    7.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4453    8.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
  2  6  1  1     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  8 10  1  0     0  0
  1 12  1  0  0  0  0
 12 11  2  0     0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 21  1  0  0  0  0
 21 15  1  1  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 26 23  1  0  0  0  0
 29 24  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
M  END
> <LM_ID>
LMPR02020084

> <COMMON_NAME>
alpha-carboxyethylhydroxychroman glutamine

> <SYSTEMATIC_NAME>
N-(5-[(2R)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-propanoyl)-glutamine

> <FORMULA>
C21H30N2O6

> <MASS>
406.21

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Quinones and hydroquinones [PR02]

> <SUB_CLASS>
Vitamin E [PR0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
CEHC glutamine

> <INCHI_KEY>
IVPFPZVDVVKLCQ-BTYIYWSLSA-N

> <INCHI>
InChI=1S/C21H30N2O6/c1-11-12(2)19-14(13(3)18(11)26)7-9-21(4,29-19)10-8-17(25)23-15(20(27)28)5-6-16(22)24/h15,26H,5-10H2,1-4H3,(H2,22,24)(H,23,25)(H,27,28)/t15-,21-/m0/s1

> <SMILES>
N(C(CC[C@@]1(CCC2C(=C(C(=C(C=2O1)C)C)O)C)C)=O)[C@@H](CCC(N)=O)C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119211

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
22952181

$$$$