LMFA01050506
  LIPID_MAPS_STRUCTURE_DATABASE

 35 34  0     0  0            999 V2000
   16.7530   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1551   -5.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0210   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8869   -5.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1548   -6.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0210   -7.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8870   -6.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7530   -7.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6189   -6.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4849   -7.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3511   -6.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2171   -7.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0830   -6.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0830   -5.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9490   -7.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8149   -6.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6810   -7.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8149   -5.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9490   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0830   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2171   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3511   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4849   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6189   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7530   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8870   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2171  -10.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3511   -9.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4849  -10.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6189   -9.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7530  -10.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8870   -9.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6191   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4851   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3511   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  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
 15 19  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
 26 32  1  0  0  0  0
  5  2  1  0  0  0  0
  1 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050506

> <COMMON_NAME>
Corynomycolic acid

> <SYSTEMATIC_NAME>
3-hydroxy-2-tetradecyloctadecanoic acid

> <FORMULA>
C32H64O3

> <MASS>
496.49

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
mycolic acid (C32);synthetic mycolic acid

> <INCHI_KEY>
CUEQHYJSSUSIFI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C32H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)30(32(34)35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31,33H,3-29H2,1-2H3,(H,34,35)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
60916

> <ABBREVIATION>
FA 32:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12304080

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1717

> <CITATION>
13826789

$$$$