LMFA01020297
  LIPID_MAPS_STRUCTURE_DATABASE

 35 34  0  0  0  0  0  0  0  0999 V2000
   24.2911    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000    6.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2911    7.2934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5769    6.0654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.8624    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1479    6.0654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.4334    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7189    6.0654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.0044    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2899    6.0654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.5754    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8609    6.0654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1464    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4319    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7174    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0029    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2884    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5739    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8594    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1449    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4305    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7160    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0015    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5769    5.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1479    5.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7189    5.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2899    5.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8609    5.2467    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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  4 31  1  1  0  0  0
  6 32  1  1  0  0  0
  8 33  1  1  0  0  0
 10 34  1  1  0  0  0
 12 35  1  1  0  0  0
M  END
> <LM_ID>
LMFA01020297

> <COMMON_NAME>
Phthioceranic acid (C33)

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

> <FORMULA>
C33H66O2

> <MASS>
494.51

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KCPUANXJIFJRIA-XDIGFQIYSA-N

> <INCHI>
InChI=1S/C33H66O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(2)24-29(3)25-30(4)26-31(5)27-32(6)33(34)35/h28-32H,7-27H2,1-6H3,(H,34,35)/t28-,29-,30-,31-,32-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 33:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921730

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1773

> <CITATION>
21285232

$$$$