LMST05040024
  LIPID_MAPS_STRUCTURE_DATABASE

 41 44  0     0  0            999 V2000
    4.5813   -7.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759   -5.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381   -5.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7275   -6.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4421   -5.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386   -6.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1526   -6.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1560   -5.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3008   -5.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5786   -6.0747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4108   -4.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3043   -4.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1430   -3.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3022   -3.1267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9783   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8169   -3.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4376   -7.5082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8758   -7.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8758   -8.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7275   -8.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5813   -8.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293   -6.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1829   -7.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1829   -8.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293   -8.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8758   -6.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3365   -8.5116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759   -4.0886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8169   -2.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6634   -4.1084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8758   -9.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1015   -4.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5873   -3.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6477   -3.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6526   -4.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5380   -3.6092    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0433   -2.7524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0306   -4.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3634   -3.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7275   -7.4653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6634   -5.1084    0.0000 C   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
  2 28  1  6  0  0  0
 16 29  2  0  0  0  0
 16 30  1  0  0  0  0
 19 31  1  1  0  0  0
  9 32  1  6  0  0  0
 12 33  1  6  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
  4 40  1  6  0  0  0
 30 41  1  0     0  0
M  END
> <LM_ID>
LMST05040024

> <COMMON_NAME>
N-methyltaurodeoxycholic acid

> <SYSTEMATIC_NAME>
3α,12α-dihydroxy-5β-cholan-24-oyl-N-methyltaurine

> <FORMULA>
C27H47NO6S

> <MASS>
513.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Taurine conjugates [ST0504]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Deoxycholyl-N-methyltaurine

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102529339

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05040024

$$$$