LMFA08020295
  LIPID_MAPS_STRUCTURE_DATABASE

 19 19  0     0  0            999 V2000
   20.9552    7.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6022    8.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9136    9.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4879   10.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9070   10.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2898   10.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9380    8.8049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2694    9.9944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9957    9.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9957   10.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9188    7.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8010    6.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7646    5.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4778    6.5755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1909    9.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4191    9.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6142    9.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8425    9.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375    9.1320    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
M  END
> <LM_ID>
LMFA08020295

> <COMMON_NAME>
N-hexanoyl histidine

> <SYSTEMATIC_NAME>
N-hexanoyl-histidine

> <FORMULA>
C12H19N3O3

> <MASS>
253.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ORIZVAWRQXIOEB-JTQLQIEISA-N

> <INCHI>
InChI=1S/C12H19N3O3/c1-2-3-4-5-11(16)15-10(12(17)18)6-9-7-13-8-14-9/h7-8,10H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t10-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NAHis 6:0

> <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

$$$$