LMST04010255
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.8975    7.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1145    6.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1145    5.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8975    5.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6805    5.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4635    5.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2467    5.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2467    6.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4635    7.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6805    6.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4635    8.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2467    8.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0296    8.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0296    7.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    7.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    8.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    8.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0296    8.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6805    7.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    9.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0764    9.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4391    9.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0655    9.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6919    9.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3518    7.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6805    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6919   10.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3182    9.2840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2467    7.5209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4464    6.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0296    6.5028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3198    8.8534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127   10.0553    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  1  6  0  0  0
 19 26  1  0  0  0  0
  5 27  1  1  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
  8 30  1  1  0  0  0
  9 31  1  6  0  0  0
 14 32  1  6  0  0  0
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
M  END
> <LM_ID>
LMST04010255

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,19-Dihydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O4

> <MASS>
392.29

> <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>
VZLIYFATFXNWOI-LAEXRQGVSA-N

> <INCHI>
InChI=1S/C24H40O4/c1-15(3-8-22(27)28)19-6-7-20-18-5-4-16-13-17(26)9-12-24(16,14-25)21(18)10-11-23(19,20)2/h15-21,25-26H,3-14H2,1-2H3,(H,27,28)/t15-,16-,17-,18+,19-,20+,21+,23-,24-/m1/s1

> <SMILES>
C1[C@]2(CO)[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])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284008

> <LIPIDBANK_ID>
BBA0255

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$