LMFA07010716
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0            999 V2000
    8.3488   -9.7574    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.4922   -9.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0633   -9.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6344  -10.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9363   -9.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7613  -10.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7778   -9.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2067   -9.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9212   -9.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2067  -10.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6357   -9.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3502   -9.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0646   -9.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7791   -9.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  9  2  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
M  CHG  1   1   1
M  END
> <LM_ID>
LMFA07010716

> <COMMON_NAME>
2-Hexenoylcholine

> <SYSTEMATIC_NAME>
{2-[(2E)-hex-2-enoyloxy]ethyl}trimethylazanium

> <FORMULA>
C11H22NO2

> <MASS>
200.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FEBXWAFFYJZFMS-BQYQJAHWSA-N

> <INCHI>
InChI=1S/C11H22NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h7-8H,5-6,9-10H2,1-4H3/q+1/b8-7+

> <SMILES>
[N+](C)(C)(C)CCOC(=O)/C=C/CCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0013162

> <CHEBI_ID>
196001

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22155829

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$