LMST04030003
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.3844    9.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4215    8.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4215    7.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3844    7.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3473    7.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3102    7.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2734    7.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2734    8.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3102    9.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3473    8.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3102   10.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2734   10.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2361   10.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2361    9.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1622    9.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1622   10.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1992   10.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2361   11.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3473    9.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1992   11.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2937   12.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9696   12.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7399   11.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5103   12.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2805   11.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0509   12.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2805   11.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8228   11.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1992   12.8079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3473    6.8954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3102    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9952    7.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0528   11.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6843   11.8841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2734    9.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2892    8.3668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2361    8.4392    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  1  0  0  0
  3 31  1  6  0  0  0
  6 32  1  1  0  0  0
  7 33  1  6  0  0  0
 25 34  1  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>
LMST04030003

> <COMMON_NAME>
alpha-Trichechol

> <SYSTEMATIC_NAME>
5beta-Cholestane-3alpha,6beta,7alpha,25,26-pentol

> <FORMULA>
C27H48O5

> <MASS>
452.35

> <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>
WLAXYIXLDQTVJE-JGXBBTQFSA-N

> <INCHI>
InChI=1S/C27H48O5/c1-16(6-5-11-25(2,32)15-28)18-7-8-19-22-20(10-13-26(18,19)3)27(4)12-9-17(29)14-21(27)23(30)24(22)31/h16-24,28-32H,5-15H2,1-4H3/t16-,17-,18-,19+,20+,21+,22+,23+,24+,25?,26-,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:0;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
195120

> <LIPIDBANK_ID>
BBA0305

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
127582

> <CITATION>
3392467

$$$$