LMST04010128
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.5262    7.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490    6.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490    5.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5262    5.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3034    5.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0806    5.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8579    5.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8579    6.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0806    7.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3034    6.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0806    8.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8579    8.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6350    8.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6350    7.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1895    7.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1895    8.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4123    8.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6350    8.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3034    7.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4123    9.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814    9.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0340    9.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6558    9.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2776    9.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.5228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3034    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2776   10.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8992    9.2540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8579    7.5040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0636    6.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6350    6.4935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9156    8.8266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4123   10.0196    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
  5 26  1  6  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
  8 29  1  1  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
 17 32  1  6  0  0  0
 20 33  1  1  0  0  0
M  END
> <LM_ID>
LMST04010128

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3-Oxo-5alpha-cholan-24-oic Acid

> <FORMULA>
C24H38O3

> <MASS>
374.28

> <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>
KIQFUORWRVZTHT-LZQMWTLUSA-N

> <INCHI>
InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16+,18+,19-,20+,21+,23+,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283907

> <LIPIDBANK_ID>
BBA0128

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$