LMST05030010
  LIPID_MAPS_STRUCTURE_DATABASE

 43 46  0  0  0  0  0  0  0  0999 V2000
    5.5544    6.0514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0707    7.2827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0662    8.9263    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3547    8.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619    7.6901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7853    8.5196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7824    7.6975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2054    7.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2083    8.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4982    8.9308    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0684    8.0889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7593    9.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4894    9.7300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1974   10.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4993   10.5362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8908    9.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5872   10.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2806    9.7235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7815    6.8987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6547    7.2827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6547    6.4653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3619    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0707    6.4653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9521    7.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2494    7.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2494    6.4714    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9521    6.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6547    8.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1994    9.2412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8630   10.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619    6.8788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6547    5.6539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5900   10.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9847   10.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6859    9.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3900   10.1220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6831    8.9074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7729    6.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5844    6.0589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5844    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3958    6.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5844    6.8704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0662    9.7378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  6  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
  7  8  1  0  0  0  0
  2 11  1  1  0  0  0
  6 12  1  1  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 19  1  6  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  2  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
 20 28  1  1  0  0  0
 10 29  1  6  0  0  0
 13 30  1  6  0  0  0
  5 31  1  6  0  0  0
 21 32  1  1  0  0  0
 26  1  1  6  0  0  0
 17 33  2  0  0  0  0
 18 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 23 38  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 39 42  2  0  0  0  0
  3 43  1  6  0  0  0
M  END
> <LM_ID>
LMST05030010

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfoxy)cholan-24-yl]-Glycine

> <FORMULA>
C26H43NO9S

> <MASS>
545.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Glycine conjugates [ST0503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
HMDB02640

> <YMDB_ID>
-

> <CHEBI_ID>
187589

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20849198

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05030010

$$$$