LMST04030194
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.9267    7.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1266    6.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1266    5.8614    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9267    5.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7269    5.8614    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5267    5.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3271    5.8614    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3271    6.7852    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5267    7.2472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7269    6.7852    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5267    8.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3271    8.6328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1270    8.1710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1270    7.2472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7272    7.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7272    8.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9271    8.6328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1270    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7269    7.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9271    9.3719    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1747    9.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5672    9.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2071    9.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8472    9.7414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4870    9.3719    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1273    9.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4870    8.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4451    8.9319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9271   10.1601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9268    5.4278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3271    9.3237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7269    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1273   10.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6534    9.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3271    7.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5093    6.4702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1270    6.5301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8215   10.5036    0.0000 O   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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  1  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
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  6  0  0  0
  7 31  1  6  0  0  0
 12 32  1  6  0  0  0
 24 39  1  1  0  0  0
  5 33  1  1  0  0  0
 26 34  2  0  0  0  0
 26 35  1  0  0  0  0
  8 36  1  1  0  0  0
  9 37  1  6  0  0  0
 14 38  1  6  0  0  0
M  END
> <LM_ID>
LMST04030194

> <COMMON_NAME>
(25S)-3alpha,7alpha,12alpha,24R-tetrahydroxy-5beta-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
(25S)-3alpha,7alpha,12alpha,24R-tetrahydroxy-5beta-cholestan-26-oic acid

> <FORMULA>
C27H46O6

> <MASS>
466.33

> <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>
FAYYTQMQTAKHRM-KHDBQBCYSA-N

> <INCHI>
InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15+,16+,17-,18-,19+,20+,21-,22-,23+,24+,26+,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
182732

> <ABBREVIATION>
ST 27:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13991773

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$