LMST05020018
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.9833    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    8.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    7.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1107    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5544    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    8.5476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1267    9.3726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.0725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8412    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3403    9.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0547    9.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7692    9.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    9.2149    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9113    9.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    8.3899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3403    8.8024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8412    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4123    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.0725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6978    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6978    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    8.1351    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8412    8.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1267    7.7225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4837    9.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3087   10.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3087    8.3899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3087    9.2149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.1337    9.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  2  8  1  0  0  0  0
  8  3  1  0  0  0  0
  3 25  1  0  0  0  0
 23 27  1  0  0  0  0
 27 25  1  0  0  0  0
 25  4  1  0  0  0  0
  4 12  1  0  0  0  0
 12 31  1  0  0  0  0
 31 21  1  0  0  0  0
 23 31  1  0  0  0  0
  5 23  1  0  0  0  0
 10  5  1  0  0  0  0
 10 29  1  0  0  0  0
 21  6  1  0  0  0  0
 29 21  1  0  0  0  0
 19 29  1  0  0  0  0
 19  7  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  6  0  0  0
 10 11  1  6  0  0  0
 12 13  1  6  0  0  0
 19 17  1  0  0  0  0
 17 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  6  0  0  0
 19 20  1  6  0  0  0
 21 22  1  6  0  0  0
 23 24  1  6  0  0  0
 25 26  1  6  0  0  0
 27 28  1  1  0  0  0
 29 30  1  1  0  0  0
 31 32  1  1  0  0  0
 33 36  1  0  0  0  0
 36 34  2  0  0  0  0
 36 35  2  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <LM_ID>
LMST05020018

> <COMMON_NAME>
3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl sulfate

> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl hydrogen sulfate

> <FORMULA>
C24H42O7S

> <MASS>
474.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5alpha-Cholan-3alpha,7alpha,12alpha-triol 24-sulfate; Petromyzonol 24-sulfate

> <KEGG_ID>
C16259

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
50109

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5200193

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05020018

$$$$