LMST05030004
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0     0  0            999 V2000
   12.5646    8.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4201    9.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7215    9.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5646    7.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4327   10.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0810    9.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8618    8.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7215   10.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7215    7.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2664   10.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5646   10.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4452   11.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0894   10.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8535    7.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0230    9.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8618    9.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2831   11.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0105    7.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1634    8.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1354   12.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4411   12.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1508    7.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9699   11.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2860    7.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8214   12.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6560   11.6379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8338   13.1111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5646    9.7808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4327    8.3159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7215    8.3117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1562   11.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8535    6.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5226   12.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3751   11.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2880    7.3540    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829    8.3475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3582   10.6151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2481   12.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  1     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
  7 15  1  0     0  0
  7 16  1  1     0  0
 10 17  1  0     0  0
 14 18  1  0     0  0
 15 19  1  0     0  0
 17 20  1  0     0  0
 17 21  1  6     0  0
 18 22  1  0     0  0
 20 23  1  0     0  0
 22 24  1  6     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 25 27  2  0     0  0
  8 11  1  0     0  0
  9 14  1  0     0  0
 10 13  1  0     0  0
 19 22  1  0     0  0
  1 28  1  1     0  0
  2 29  1  6     0  0
  3 30  1  6     0  0
 10 31  1  6     0  0
 14 32  1  1     0  0
 26 33  1  0     0  0
 33 34  1  0     0  0
 24 35  1  0     0  0
 35 36  2  0     0  0
  1  2  1  0     0  0
 35 37  2  0     0  0
  1  3  1  0     0  0
 35 38  1  0     0  0
 34 39  2  0     0  0
  1  4  1  0     0  0
 34 40  1  0     0  0
M  END
> <LM_ID>
LMST05030004

> <COMMON_NAME>
Sulfoglycolithocholate

> <SYSTEMATIC_NAME>
N-(3alpha-hydroxy-5beta-cholan-24-oyl)-glycine 3-sulfate

> <FORMULA>
C26H43NO7S

> <MASS>
513.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Glycine conjugates [ST0503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Glycolithocholic acid 3-sulfate; GLCA-3S; GLCAS

> <KEGG_ID>
C11301

> <HMDB_ID>
HMDB02639

> <YMDB_ID>
-

> <CHEBI_ID>
9347

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443113

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMST05030004

$$$$