LMFA01010048
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   16.6658    5.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4160    5.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1663    5.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4160    6.1487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9156    5.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1654    5.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4151    5.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6650    5.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9148    5.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1645    5.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4143    5.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6642    5.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9140    5.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1637    5.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4136    5.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634    5.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0190    5.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3241    5.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6679    5.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6679    6.1495    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    5.0806    5.7246    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  2  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA01010048

> <COMMON_NAME>
Margaric acid(d3)

> <SYSTEMATIC_NAME>
Heptadecanoic acid(d3)

> <FORMULA>
C17H31D3O2

> <MASS>
273.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Straight chain fatty acids [FA0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KEMQGTRYUADPNZ-FIBGUPNXSA-N

> <INCHI>
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/i1D3

> <SMILES>
C(CCCCCCCCCCCCCCC([2H])([2H])[2H])C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168047

> <ABBREVIATION>
-

> <CAYMAN_ID>
27870

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44256491

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$