LMFA01020436
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -0.4355   -0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4355   -0.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4355    0.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3130   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1909   -0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0686   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9465   -0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8243   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7022   -0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5799   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4578   -0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3357   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2135   -0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0913   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9691   -0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3357   -1.7602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3357   -2.7706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4353   -2.7959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2360   -2.7454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3194   -3.7811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9726    0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8424   -0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 12 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 17 19  2  0     0  0
 17 20  1  0     0  0
 15 21  1  0     0  0
 15 22  1  0     0  0
M  END
> <LM_ID>
LMFA01020436

> <COMMON_NAME>
sufac#1

> <SYSTEMATIC_NAME>
13-methyl-10-(sulfooxy)tetradecanoic acid

> <FORMULA>
C15H30O6S

> <MASS>
338.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JZVLQNZGNMOISM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H30O6S/c1-13(2)11-12-14(21-22(18,19)20)9-7-5-3-4-6-8-10-15(16)17/h13-14H,3-12H2,1-2H3,(H,16,17)(H,18,19,20)

> <SMILES>
C(CCCCCCCCC(OS(O)(=O)=O)CCC(C)C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
153296861

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
54126

> <CITATION>
29555902

$$$$