LMFA08020220
  LIPID_MAPS_STRUCTURE_DATABASE

 35 35  0     0  0            999 V2000
   13.7786   -4.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6429   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5070   -4.1660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6429   -2.6692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9145   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0504   -4.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1862   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3220   -4.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4579   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5937   -4.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7296   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7318   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8674   -4.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0033   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1392   -4.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4108   -4.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5467   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6825   -4.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1816   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3711   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2353   -4.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0995   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0995   -2.6692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9637   -4.1660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8279   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6920   -4.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6920   -5.1638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5562   -3.6671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8279   -2.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6920   -2.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5562   -2.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9504   -1.2065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4204   -2.1703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9482   -1.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  2  4  2  0     0  0
  1  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 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
  3 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 27 29  1  0     0  0
 26 30  1  1     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 31 33  1  0     0  0
 32 34  1  0     0  0
 33 35  1  0     0  0
 34 35  2  0     0  0
M  END
> <LM_ID>
LMFA08020220

> <COMMON_NAME>
N-oleyl-Ala-His

> <SYSTEMATIC_NAME>
N-oleyl-beta-alanine-L-histidine

> <FORMULA>
C27H46N4O4

> <MASS>
490.35

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BENWHZAFNGIINT-DHSLYTQISA-N

> <INCHI>
InChI=1S/C27H46N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(32)29-19-18-26(33)31-24(27(34)35)20-23-21-28-22-30-23/h9-10,21-22,24H,2-8,11-20H2,1H3,(H,28,30)(H,29,32)(H,31,33)(H,34,35)/b10-9-/t24-/m0/s1

> <SMILES>
C(CCCCCC/C=C\CCCCCCCC)C(=O)NCCC(N[C@@H](CC1NC=NC=1)C(O)=O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
165346248

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
32630

> <CITATION>
26995609

$$$$