LMFA08020095
  LIPID_MAPS_STRUCTURE_DATABASE

 33 34  0     0  0            999 V2000
   22.3639    8.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5226    9.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8769   10.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4153   11.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8708   11.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1669   11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9623    9.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2731   10.8526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0793   10.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0793   11.2247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5403    8.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7558    8.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0944    7.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0883    7.1548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7765    8.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1361    7.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4747    6.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4539    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2119    9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3440   10.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4761    9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6081   10.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7402    9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8722   10.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0043    9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1364   10.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2683    9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4004   10.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5325    9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6645   10.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7966    9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9286   10.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.7375    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14  1  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 11  2  1  0  0  0  0
  9 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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020095

> <COMMON_NAME>
N-palmitoyl tryptophan

> <SYSTEMATIC_NAME>
N-hexadecanoyl-tryptophan

> <FORMULA>
C27H42N2O3

> <MASS>
442.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YFPVRCYDDXYINM-VWLOTQADSA-N

> <INCHI>
InChI=1S/C27H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(30)29-25(27(31)32)20-22-21-28-24-18-16-15-17-23(22)24/h15-18,21,25,28H,2-14,19-20H2,1H3,(H,29,30)(H,31,32)/t25-/m0/s1

> <SMILES>
C1NC2C=CC=CC=2C=1C[C@]([H])(NC(CCCCCCCCCCCCCCC)=O)C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165560

> <ABBREVIATION>
NATrp 16:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10321153

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
19584404

$$$$