LMST05040003
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   11.7997    8.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9356    8.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8038    9.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5203    8.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0797    8.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9230    7.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6595   10.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9313   10.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7664   10.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5203    9.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2322    8.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0714    9.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0838    6.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6637   11.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2322    7.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806    8.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2239    9.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5079   11.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8288   11.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806    6.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5456    8.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3388   11.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5456    7.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1779   11.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7055    6.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0171   11.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1779   12.6923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7997    7.8270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9272    9.2641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0755    7.8146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5352   10.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2239    6.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8840   11.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7421   11.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6090   11.7046    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.4715   12.2026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1032   10.8399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1148   12.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 14 18  1  0  0  0  0
 14 19  1  6  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  6  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 13 15  1  0  0  0  0
 21 23  1  0  0  0  0
  1 28  1  6  0  0  0
  2 29  1  1  0  0  0
  5 30  1  6  0  0  0
  7 31  1  6  0  0  0
 15 32  1  1  0  0  0
 26 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 35 37  2  0     0  0
 35 38  2  0     0  0
M  END
> <LM_ID>
LMST05040003

> <COMMON_NAME>
Taurolithocholic acid

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

> <FORMULA>
C26H45NO5S

> <MASS>
483.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Taurine conjugates [ST0504]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Taurolithocholate; TLCA

> <KEGG_ID>
C02592

> <HMDB_ID>
HMDB00722

> <YMDB_ID>
-

> <CHEBI_ID>
36259

> <CAYMAN_ID>
31604

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000501304

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
439763

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05040003

$$$$