LMST04010260
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.5391    7.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7544    6.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7544    5.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5391    5.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3238    5.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1086    5.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8934    5.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8934    6.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1086    7.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3238    6.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1086    8.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8934    8.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    8.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    7.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2476    7.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2476    8.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4629    8.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    8.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3238    7.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4629    9.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7249    9.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0906    9.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7184    9.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3462    9.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8934    9.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7834    6.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3238    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3462   10.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9739    9.2928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8934    7.5259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0914    6.4466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    6.5056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9710    8.8613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4629   10.0658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
  3 25  2  0  0  0  0
 12 26  2  0  0  0  0
 15 27  2  0  0  0  0
  5 28  1  1  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
 17 34  1  6  0  0  0
 20 35  1  1  0  0  0
M  END
> <LM_ID>
LMST04010260

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,12,15-Trioxo-5beta-cholan-24-oic Acid

> <FORMULA>
C24H34O5

> <MASS>
402.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SCMCFQAAPCVHCE-YPWLHJPSSA-N

> <INCHI>
InChI=1S/C24H34O5/c1-13(4-7-21(28)29)17-11-19(26)22-16-6-5-14-10-15(25)8-9-23(14,2)18(16)12-20(27)24(17,22)3/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14-,16-,17-,18+,22-,23+,24+/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC(=O)[C@@]4([H])[C@]3([H])CC[C@]2([H])CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185193

> <ABBREVIATION>
ST 24:4;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284013

> <LIPIDBANK_ID>
BBA0260

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$