LMFA08020120
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0  0  0  0  0  0  0  0999 V2000
   17.7062    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8821    5.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3643    6.5748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7962    7.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3595    7.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3991    7.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6305    6.1776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8799    7.0722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9221    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9221    7.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7170    5.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1940    6.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4658    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7376    6.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0095    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2814    6.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5532    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8251    6.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0969    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3688    6.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6407    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125    6.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1843    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4562    6.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.1776    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  1  0  0  0  0
  4  6  2  0  0  0  0
  3  7  1  6  0  0  0
  3  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  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
 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
M  END
> <LM_ID>
LMFA08020120

> <COMMON_NAME>
N-palmitoyl valine

> <SYSTEMATIC_NAME>
N-hexadecanoyl-valine

> <FORMULA>
C21H41NO3

> <MASS>
355.31

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OGLNTVZUARMGNY-FQEVSTJZSA-N

> <INCHI>
InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)22-20(18(2)3)21(24)25/h18,20H,4-17H2,1-3H3,(H,22,23)(H,24,25)/t20-/m0/s1

> <SMILES>
CC(C)[C@]([H])(NC(CCCCCCCCCCCCCCC)=O)C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165562

> <ABBREVIATION>
NAVal 16:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11348810

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
19584404

$$$$