LMST04010063
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.8968    7.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1142    6.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1142    5.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8968    5.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6794    5.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620    5.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2447    5.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2447    6.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620    7.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6794    6.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620    8.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2447    8.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0272    8.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0272    7.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5925    7.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5925    8.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8099    8.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0272    8.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6794    7.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8099    9.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0740    9.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4360    9.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0620    9.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6881    9.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8968    7.9713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2447    9.2347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6794    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6881   10.2721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3141    9.2818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2447    7.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4449    6.4434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0272    6.5022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167    8.8515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8099   10.0527    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
  1 25  1  1  0  0  0
  3 26  1  6  0  0  0
 12 27  1  6  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>
LMST04010063

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
1beta,3alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O5

> <MASS>
408.29

> <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>
DAKYVYUAVGJDRK-FPUZENINSA-N

> <INCHI>
InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1

> <SMILES>
[C@H]1(O)[C@]2(C)[C@@]3([H])C[C@H](O)[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>
HMDB00371

> <CHEBI_ID>
136724

> <ABBREVIATION>
ST 24:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283850

> <LIPIDBANK_ID>
BBA0063

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$