LMST04030211
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.8939    7.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1130    6.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1130    5.8467    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8939    5.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750    5.8467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4559    5.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2369    5.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2369    6.7484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4559    7.1993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6750    6.7484    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4559    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2369    8.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0177    8.1010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0177    7.1993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5798    7.1993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5798    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7989    8.5521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0177    8.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750    7.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7989    9.2734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0645    9.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4236    9.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0484    9.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6732    9.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1131    6.7754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6732   10.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2977    9.2734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2369    7.5151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4388    6.4409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0177    6.4995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3046    8.8439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7989   10.0428    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
 15 26  1  6  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>
LMST04030211

> <COMMON_NAME>
3alpha,15alpha-dihydroxy-5beta-cholan-24-oic acid

> <SYSTEMATIC_NAME>
3alpha,15alpha-dihydroxy-5beta-cholan-24-oic acid

> <FORMULA>
C24H40O4

> <MASS>
392.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DATMLNMUDBJNRY-CMBSQNDCSA-N

> <INCHI>
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)19-13-20(26)22-17-6-5-15-12-16(25)8-10-23(15,2)18(17)9-11-24(19,22)3/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17-,18+,19-,20+,22-,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)C[C@H](O)[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>
24744864

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$