LMFA01170021
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0  0  0  0  0999 V2000
   16.0454    5.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7761    5.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0454    6.0979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3094    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5730    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8366    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1002    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3638    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6274    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8911    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1547    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4183    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6819    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9455    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2091    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4728    5.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7364    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7364    6.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170021

> <COMMON_NAME>
Pentadecanedioic acid

> <SYSTEMATIC_NAME>
Pentadecanedioic acid

> <FORMULA>
C15H28O4

> <MASS>
272.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BTZVDPWKGXMQFW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)

> <SMILES>
C(CCCCCCCCCCCCCC(=O)O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165387

> <ABBREVIATION>
FA 15:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
160576

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$