LMST05020015
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    9.0578   10.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1824    9.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1824    8.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0578    8.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7717    8.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6571    8.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9056    9.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7717   11.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6571   11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048   11.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048   10.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4554   10.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0204   10.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4554   11.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048   12.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9056   10.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048    9.3712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3315   12.1586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7717   10.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7717    9.3789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5900   13.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6571    9.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6571   10.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1867   12.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3211   13.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4554   12.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2941    8.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2936    7.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    7.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2941    7.3601    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2941    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9056    8.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9056    7.8822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0523   13.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0523   14.1945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9178   12.6952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0  0  0  0
 14 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  1  0  0  0
 22 11  1  0  0  0  0
 12 11  1  0  0  0  0
 11 17  1  6  0  0  0
  8 19  1  0  0  0  0
  7 19  1  0  0  0  0
 22 19  1  0  0  0  0
  6 22  1  0  0  0  0
 32  7  1  0  0  0  0
  7 16  1  1  0  0  0
  1  7  1  0  0  0  0
 13 14  1  0  0  0  0
 26 14  1  0  0  0  0
 14 18  1  6  0  0  0
  8  9  1  0  0  0  0
 13 12  1  0  0  0  0
  5  6  1  0  0  0  0
  4 32  1  0  0  0  0
  5 32  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  3 27  1  6  0  0  0
 19 20  1  6  0  0  0
 26 21  1  6  0  0  0
 22 23  1  1  0  0  0
 34 24  1  0  0  0  0
 36 34  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 30  1  0  0  0  0
 30 28  2  0  0  0  0
 30 29  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  1  0  0  0
 34 35  2  0  0  0  0
M  END
> <LM_ID>
LMST05020015

> <COMMON_NAME>
lithocholic acid sulfate

> <SYSTEMATIC_NAME>
3alpha-sulfooxy-5beta-cholan-24-oic acid

> <FORMULA>
C24H40O6S

> <MASS>
456.25

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(3alpha,5beta)-3-(sulfooxy)cholan-24-oic acid; lithocholic acid 3-sulfate; sulfolithocholic acid

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
35421

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
451489

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05020015

$$$$