LMFA01020336
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0  0  0  0  0  0  0  0999 V2000
   20.0480    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7592    6.0687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0480    7.3004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3317    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6151    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8984    6.0687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1818    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4650    6.0687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7484    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0317    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3151    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5984    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8818    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1650    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7319    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0152    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2986    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5819    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8652    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1485    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3317    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8984    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4650    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7152    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  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
 18 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 26  1  0  0  0  0
  4 23  1  0  0  0  0
  6 24  1  1  0  0  0
  8 25  1  1  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020336

> <COMMON_NAME>
Mycolipenic acid (C25)

> <SYSTEMATIC_NAME>
2,4S,6S-trimethyl-2E-docosenoic acid

> <FORMULA>
C25H48O2

> <MASS>
380.37

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FHYFYGGFILKFMB-RVTQGIHGSA-N

> <INCHI>
InChI=1S/C25H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-23(3)21-24(4)25(26)27/h21-23H,5-20H2,1-4H3,(H,26,27)/b24-21+/t22-,23-/m0/s1

> <SMILES>
C(/C(/C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 25:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921767

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1773

> <CITATION>
21285232

$$$$