LMFA00000020
  LIPID_MAPS_STRUCTURE_DATABASE

 37 36  0  0  0  0  0  0  0  0999 V2000
    5.9433    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7105    6.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4775    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2447    6.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0118    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7789    6.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3129    6.8897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0800    7.3324    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.8471    6.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3814    6.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1485    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9156    6.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6826    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4497    6.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2168    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9840    6.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7510    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2854    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0523    6.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3129    6.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3169    5.7229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8815    5.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7295    5.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3169    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5877    7.2814    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.0169    6.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2263    7.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0621    7.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0954    8.2610    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.5459    7.3324    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.6142    7.3324    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.5182    6.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5459    8.2181    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.6142    8.2181    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   20.0753    6.1225    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   20.9612    6.1225    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 31  1  0  0  0  0
 31  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 32  1  0  0  0  0
 32 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 33  1  0  0  0  0
 33 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
  1 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 19 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
  8 30  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
> <LM_ID>
LMFA00000020

> <COMMON_NAME>
2,2,11,13,15-pentachloro-docosane-1,14-disulfate

> <SYSTEMATIC_NAME>
2,2,11,13,15-pentachloro-docosane-1,14-disulfate

> <FORMULA>
C22H41Cl5O8S2

> <MASS>
672.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Other Fatty Acyls [FA00]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XCQVIBNYJYFVME-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H41Cl5O8S2/c1-2-3-4-7-11-14-19(24)21(35-37(31,32)33)20(25)16-18(23)13-10-8-5-6-9-12-15-22(26,27)17-34-36(28,29)30/h18-21H,2-17H2,1H3,(H,28,29,30)(H,31,32,33)

> <SMILES>
C(C)CCCCCC(Cl)C(OS(O)(=O)=O)C(Cl)CC(Cl)CCCCCCCCC(Cl)(Cl)COS(O)(=O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935793

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Halogenated fatty acids [FA0109]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3166

> <CITATION>
11958814

$$$$