LMFA01020296
  LIPID_MAPS_STRUCTURE_DATABASE

 33 32  0  0  0  0  0  0  0  0999 V2000
   22.9195    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6307    6.0688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9195    7.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2030    6.0688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.4862    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7694    6.0688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.0526    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3358    6.0688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6190    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9022    6.0688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1854    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4686    6.0688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7519    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0351    6.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3183    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6015    6.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8847    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1679    6.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4511    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7343    6.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0175    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3007    6.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5840    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8672    6.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4336    6.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7168    6.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2030    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7694    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3358    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9022    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4686    5.2475    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
 27 28  1  0  0  0  0
  4 29  1  1  0  0  0
  6 30  1  1  0  0  0
  8 31  1  1  0  0  0
 10 32  1  1  0  0  0
 12 33  1  1  0  0  0
M  END
> <LM_ID>
LMFA01020296

> <COMMON_NAME>
Phthioceranic acid (C31)

> <SYSTEMATIC_NAME>
2S,4S,6S,8S,10S-pentamethyl-hexacosanoic acid

> <FORMULA>
C31H62O2

> <MASS>
466.47

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ASUHCLFFKJVAJH-IIZANFQQSA-N

> <INCHI>
InChI=1S/C31H62O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(2)22-27(3)23-28(4)24-29(5)25-30(6)31(32)33/h26-30H,7-25H2,1-6H3,(H,32,33)/t26-,27-,28-,29-,30-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 31:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921729

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1773

> <CITATION>
21285232

$$$$