LMFA08020143
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0  0  0  0  0  0  0  0999 V2000
   19.0014    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0014    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2700    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5331    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7959    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0587    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3215    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5842    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8468    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1096    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3724    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6351    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8979    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1607    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4235    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863    6.5159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9489    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2117    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4744    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7372    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6916    7.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7328    6.5392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4975    6.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1426    6.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1467    7.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9312    6.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 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
 16 22  1  6  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020143

> <COMMON_NAME>
15-HETE-Gly

> <SYSTEMATIC_NAME>
N-(15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-glycine

> <FORMULA>
C22H35NO4

> <MASS>
377.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amino acids [FA0805]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
15S-HETE-Gly

> <INCHI_KEY>
AFWJZEQUUAAITC-RQYADBJFSA-N

> <INCHI>
InChI=1S/C22H35NO4/c1-2-3-13-16-20(24)17-14-11-9-7-5-4-6-8-10-12-15-18-21(25)23-19-22(26)27/h4-5,8-11,14,17,20,24H,2-3,6-7,12-13,15-16,18-19H2,1H3,(H,23,25)(H,26,27)/b5-4-,10-8-,11-9-,17-14+/t20-/m0/s1

> <SMILES>
C(NCC(O)=O)(CCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173180

> <ABBREVIATION>
NAGly 20:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53477509

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty amides [FA08]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]; N-acyl amino acids [FA0805]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
9606

> <CITATION>
21923193

$$$$