LMFA01020335
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0     0  0            999 V2000
   26.9091    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7712    7.3557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9091    8.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0408    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1721    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3034    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4347    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5660    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6973    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8285    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9598    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0911    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2224    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3537    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4850    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6163    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7475    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8788    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0101    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1414    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2727    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4040    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5353    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6665    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7978    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9291    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    7.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0408    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1721    8.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3034    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5660    6.3604    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  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
 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 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
 26 27  1  0  0  0  0
  4 28  1  6  0  0  0
  5 29  1  1  0  0  0
  6 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
> <LM_ID>
LMFA01020335

> <COMMON_NAME>
Mycolipanolic acid (C28)

> <SYSTEMATIC_NAME>
2R,4S,6S-trimethyl-3R-hydroxy-pentacosanoic acid

> <FORMULA>
C28H56O3

> <MASS>
440.42

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NUZIOOXMVHJIKP-GWMMUDDPSA-N

> <INCHI>
InChI=1S/C28H56O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2)23-25(3)27(29)26(4)28(30)31/h24-27,29H,5-23H2,1-4H3,(H,30,31)/t24-,25-,26+,27+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 28:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921766

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1773

> <CITATION>
38456226

$$$$