LMST05040027
  LIPID_MAPS_STRUCTURE_DATABASE

 41 44  0     0  0            999 V2000
    8.3668    9.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4141    8.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4141    7.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3668    7.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3196    7.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2724    7.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2253    7.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2253    8.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2724    9.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3196    8.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2724   10.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2253   10.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1779   10.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1779    9.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0835    9.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0835   10.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1308   10.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1779   11.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3196    9.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1308   11.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2349   12.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8930   12.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6553   11.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4174   12.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    7.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2724    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9395    7.1041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3196    6.8896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4174   13.0068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1795   11.8012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2253    9.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2516    8.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1779    8.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7477   11.2773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1308   12.7397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0455   12.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9115   11.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7776   12.3009    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.2776   13.1670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4847   11.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6436   12.8009    0.0000 O   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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
  3 25  1  6  0  0  0
  6 26  1  1  0  0  0
  7 27  1  6  0  0  0
  5 28  1  1  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
 17 34  1  6  0  0  0
 20 35  1  1  0  0  0
 30 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  2  0     0  0
 38 40  2  0     0  0
 38 41  1  0     0  0
M  END
> <LM_ID>
LMST05040027

> <COMMON_NAME>
Tauro-alpha-muricholic acid

> <SYSTEMATIC_NAME>
N-(3alpha,6beta,7alpha-Trihydroxy-5beta-cholan-24-oyl)-taurine

> <FORMULA>
C26H45NO7S

> <MASS>
515.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Taurine conjugates [ST0504]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
T-alpha-MCA

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
139136

> <CAYMAN_ID>
20288

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101657566

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05040027

$$$$