LMST04030185
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.8936    7.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1128    6.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1128    6.0172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8936    5.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6744    6.0172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4552    5.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2360    6.0172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2360    6.9187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4552    7.3696    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6744    6.9187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4552    8.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2360    8.7219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0167    8.2711    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0167    7.3696    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5783    7.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5783    8.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7975    8.7219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0167    8.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6744    7.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7975    9.4431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0633    9.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4221    9.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0468    9.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6714    9.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2959    9.4431    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.9207    9.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3031    9.0138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7975   10.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8213    5.5941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2360    9.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6744    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4340    9.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2360    7.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4381    6.6113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167    6.6700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2959    8.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7086    8.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0767    8.0909    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 37  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 27  1  6  0  0  0
 20 28  1  1  0  0  0
  3 29  1  6  0  0  0
  7 30  1  6  0  0  0
 12 31  1  6  0  0  0
  5 32  1  6  0  0  0
 26 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
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
M  END
> <LM_ID>
LMST04030185

> <COMMON_NAME>
3alpha,7alpha,12alpha,26-tetrahydroxy-5alpha-cholestan-27-oic acid

> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha,26-tetrahydroxy-5alpha-cholestan-27-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>
WJAIFDIPOPXOPB-AMPWAIRWSA-N

> <INCHI>
InChI=1S/C27H46O6/c1-15(5-4-6-16(14-28)25(32)33)19-7-8-20-24-21(13-23(31)27(19,20)3)26(2)10-9-18(29)11-17(26)12-22(24)30/h15-24,28-31H,4-14H2,1-3H3,(H,32,33)/t15-,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)CCCC(C(=O)O)CO)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>
181782

> <ABBREVIATION>
ST 27:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931525

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$