LMFA08020284
  LIPID_MAPS_STRUCTURE_DATABASE

 39 38  0     0  0            999 V2000
    2.1929   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7910   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5231   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3891   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2551   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1212   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9872   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8532   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7192   -5.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8532   -3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1212   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2551   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2551   -2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3891   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5231   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7910   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1929   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2712   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1372   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5853   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4513   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3173   -4.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4513   -6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2712   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1372   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1372   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0032   -3.5750    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
  3  4  1  0     0  0
  4  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  1  0     0  0
 11 13  2  0     0  0
  1 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
  9 18  1  1     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 19 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 17  1  0     0  0
 17 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 12 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 33 35  2  0     0  0
 16 36  1  0     0  0
 36 37  1  0     0  0
 31 38  1  0     0  0
 31 39  1  0     0  0
M  END
> <LM_ID>
LMFA08020284

> <COMMON_NAME>
Topostin B553

> <SYSTEMATIC_NAME>
N-(3R-(13-methyl-tetradecanoyloxy)-hexadecanoyl)-glycine

> <FORMULA>
C33H63NO5

> <MASS>
553.47

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HGZNYJPHHPDUFK-SSEXGKCCSA-N

> <INCHI>
InChI=1S/C33H63NO5/c1-4-5-6-7-8-9-10-13-16-19-22-25-30(27-31(35)34-28-32(36)37)39-33(38)26-23-20-17-14-11-12-15-18-21-24-29(2)3/h29-30H,4-28H2,1-3H3,(H,34,35)(H,36,37)/t30-/m1/s1

> <SMILES>
C(CCCCC)CCCCCCC[C@@H](OC(CCCCCCCCCCCC(C)C)=O)CC(=O)NCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10347618

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
992

> <CITATION>
-

$$$$