LMST05040001
  LIPID_MAPS_STRUCTURE_DATABASE

 41 44  0     0  0            999 V2000
   10.9774    8.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9720   10.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1341    9.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1236    8.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8381    9.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8346    8.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5486    8.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5521    9.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6969   10.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9746    9.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8068   10.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7003   11.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5391   11.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6982   12.2416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3744   11.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2130   11.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8336    7.8601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2718    8.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2718    7.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1236    6.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9774    7.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4253    8.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5790    8.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5790    7.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4253    6.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2718    9.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.8567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8238    6.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9720   11.2797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2130   12.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0594   11.2599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2718    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4975   10.7050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9833   11.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0438   11.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0487   11.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9341   11.7591    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4394   12.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4267   10.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7595   12.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1236    7.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  6 17  1  6  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 19  1  0  0  0  0
 18 26  1  1  0  0  0
 24 27  1  6  0  0  0
 21 28  1  6  0  0  0
  2 29  1  6  0  0  0
 16 30  2  0  0  0  0
 16 31  1  0  0  0  0
 19 32  1  1  0  0  0
  9 33  1  6  0  0  0
 12 34  1  6  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  2  0  0  0  0
 37 40  1  0  0  0  0
  4 41  1  6  0  0  0
M  END
> <LM_ID>
LMST05040001

> <COMMON_NAME>
Taurocholic acid

> <SYSTEMATIC_NAME>
N-(3alpha,7alpha,12alpha-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>
Taurocholate; TCA

> <KEGG_ID>
C05122

> <HMDB_ID>
HMDB0000036

> <YMDB_ID>
-

> <CHEBI_ID>
28865

> <CAYMAN_ID>
31374

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485655

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6675

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05040001

$$$$