LMST04030189
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.2689    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9833    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4123    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1267    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1267    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6978    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4123    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    7.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1108    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    7.7225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8412    8.1350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8412    8.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    8.5475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1267    9.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4227    8.6034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    8.3899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2683    9.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5538    9.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6972    9.1868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6972    8.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9827    9.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4116   10.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4116    9.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1262    9.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8393    9.1868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2560    9.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9833    8.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 23  1  6  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  5 37  1  0  0  0  0
  5 13  1  1  0  0  0
  6  5  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  6  0  0  0
  7  6  1  0  0  0  0
 16  7  1  0  0  0  0
  7 15  1  1  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8 22  1  6  0  0  0
  9  3  1  0  0  0  0
  5  9  1  0  0  0  0
  9  4  1  0  0  0  0
  9 24  1  6  0  0  0
 10 20  1  0  0  0  0
 16 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  6  0  0  0
 17 26  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  1  0  0  0
 20 21  1  6  0  0  0
 26 25  1  6  0  0  0
 26 35  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 35 28  1  0  0  0  0
 29 31  1  0  0  0  0
 29 33  1  0  0  0  0
 29 30  1  6  0  0  0
 33 32  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  6  0  0  0
 37 38  1  1  0  0  0
M  END
> <LM_ID>
LMST04030189

> <COMMON_NAME>
(25R)-1beta,3alpha,7alpha,12alpha-tetrahydroxy-5beta-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
(25R)-1beta,3alpha,7alpha,12alpha-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>
HQMODQLSLMTEGC-IFZHESNGSA-N

> <INCHI>
InChI=1S/C27H46O6/c1-14(6-5-7-15(2)25(32)33)18-8-9-19-24-20(13-23(31)27(18,19)4)26(3)16(11-21(24)29)10-17(28)12-22(26)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@@H](O)[C@]2([C@@]([H])(C[C@@H](O)[C@@]3([H])[C@@]4([H])[C@](C)([C@@H](O)C[C@]23[H])[C@]([C@H](C)CCC[C@@H](C)C(O)=O)([H])CC4)C[C@@H]1O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931528

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$