LMST05040005
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
   11.6839    8.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8338    8.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6922    9.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3720    8.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    8.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8338    7.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5466   10.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8504   10.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6839   10.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3844    9.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1333    8.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9501    9.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9835    6.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6799    6.8398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5591   11.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1289    7.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2912    8.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1249    9.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4136   11.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7089   11.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2912    6.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4328    8.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2594   11.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4328    7.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1098   11.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.6438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9559   11.1952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1222   12.6748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8061   11.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6522   11.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6358   11.1703    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.6152   11.1703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6774   12.1496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6774   10.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1207    6.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5114   10.5118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6839    7.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    7.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8338    9.3100    0.0000 H   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
  6 14  1  6  0  0  0
  7 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  1  0  0  0
 15 19  1  0  0  0  0
 15 20  1  6  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 13 16  1  0  0  0  0
 22 24  1  0  0  0  0
 16 35  1  1  0  0  0
  7 36  1  6  0  0  0
  1 37  1  6  0  0  0
  5 38  1  6  0  0  0
  2 39  1  1  0  0  0
M  END
> <LM_ID>
LMST05040005

> <COMMON_NAME>
Taurochenodeoxycholic acid

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

> <FORMULA>
C26H45NO6S

> <MASS>
499.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Taurine conjugates [ST0504]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Taurochenodeoxycholate; 2-[(3a,7a-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate; TCDCA

> <KEGG_ID>
C05465

> <HMDB_ID>
HMDB0000951

> <YMDB_ID>
-

> <CHEBI_ID>
16525

> <CAYMAN_ID>
31361

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485376

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
387316

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05040005

$$$$