LMST04030090
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.8991    7.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1152    6.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1152    5.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8991    5.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6830    5.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    5.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2509    5.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2509    6.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    7.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6830    6.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    8.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2509    8.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0348    8.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0348    7.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6027    7.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6027    8.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8188    8.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0348    8.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6830    7.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8188    9.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0816    9.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4459    9.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0731    9.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7002    9.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3272    9.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9545    9.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3272    8.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264    8.8576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8188   10.0608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6830    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8386    5.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9559    8.8148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2509    7.5236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4498    6.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0348    6.5043    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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  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
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  5 30  1  6  0  0  0
  3 31  1  6  0  0  0
  7 32  1  6  0  0  0
 25 33  1  0  0  0  0
  8 34  1  1  0  0  0
  9 35  1  6  0  0  0
 14 36  1  6  0  0  0
M  END
> <LM_ID>
LMST04030090

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5alpha-Cholestane-3alpha,7alpha,25-triol

> <FORMULA>
C27H48O3

> <MASS>
420.36

> <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>
UROPIWALBBMYRP-CEIFOQQWSA-N

> <INCHI>
InChI=1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(O)(C)C)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>
187336

> <ABBREVIATION>
ST 27:0;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
194119

> <LIPIDBANK_ID>
BBA0416

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$