LMST04010340
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.8764    7.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1057    6.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1057    5.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8764    5.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6471    5.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4178    5.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1886    5.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1886    6.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4178    7.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6471    6.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4178    8.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1886    8.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9591    8.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9591    7.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5006    7.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5006    8.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7299    8.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9591    8.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6471    7.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7299    9.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0052    9.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3465    9.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9630    9.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5796    9.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6471    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5796   10.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1960    9.2205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1886    7.4851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4009    6.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9591    6.4831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7299    9.9796    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  2  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  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  1  1  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
 20 32  1  1  0  0  0
M  END
> <LM_ID>
LMST04010340

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(22E)-3beta-Hydroxy-5alpha-chola-16,22-dien-24-oic Acid

> <FORMULA>
C24H36O3

> <MASS>
372.27

> <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>
TUWMCXHMEUWKHE-USQPYEFQSA-N

> <INCHI>
InChI=1S/C24H36O3/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/h4,7,9,15-18,20-21,25H,5-6,8,10-14H2,1-3H3,(H,26,27)/b9-4+/t15-,16+,17+,18+,20+,21+,23+,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284087

> <LIPIDBANK_ID>
BBA0624

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$