LMFA08020294
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0     0  0            999 V2000
   21.2849    7.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9422    8.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2427    9.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8261   10.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2360   11.0774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6405   10.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2517    8.9434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5884   10.1517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2947    9.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2947   10.5550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2323    7.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1127    6.3290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.0914    5.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8158    6.6789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4772    9.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6932    9.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8756    9.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0917    9.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2741    9.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4900    9.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6725    9.3339    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
  1 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  1  1  0  0  0  0
  9 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
M  END
> <LM_ID>
LMFA08020294

> <COMMON_NAME>
N-octanoyl histidine

> <SYSTEMATIC_NAME>
N-octanoyl-histidine

> <FORMULA>
C14H23N3O3

> <MASS>
281.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GXEADBDXKQCWBQ-LBPRGKRZSA-N

> <INCHI>
InChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-13(18)17-12(14(19)20)8-11-9-15-10-16-11/h9-10,12H,2-8H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t12-/m0/s1

> <SMILES>
C1(N=CNC=1)C[C@]([H])(NC(CCCCCCC)=O)C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NAHis 8:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22804202

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
446

> <CITATION>
28116768

$$$$