LMST04030209
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.9029    7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1168    6.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1168    5.8508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9029    5.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    5.8508    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4752    5.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616    5.8508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2616    6.7584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4752    7.2125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6892    6.7584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4752    8.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616    8.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0476    8.1201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0476    7.2125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8338    8.5740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0476    8.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    7.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8338    9.3003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0946    9.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4627    9.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    9.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    9.3003    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3430    8.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8338   10.0747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8509    5.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4955    9.3204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616    7.5301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4580    6.4489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0476    6.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    8.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9785    9.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0129   10.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6201    7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7207    9.6634    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6201    8.1201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7207   10.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4061    8.5739    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 35  1  0  0  0  0
 35 37  1  0  0  0  0
 37 15  1  0  0  0  0
 15 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 36  1  0  0  0  0
 36 22  1  0  0  0  0
 22 33  1  0  0  0  0
 22 32  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 15  1  0  0  0  0
 13 16  1  1  0  0  0
 10 17  1  1  0  0  0
 18 19  1  6  0  0  0
 15 23  1  6  0  0  0
 18 24  1  1  0  0  0
  3 25  1  6  0  0  0
  7 26  1  6  0  0  0
  5 27  1  1  0  0  0
 33 28  1  0  0  0  0
  8 29  1  1  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
 33 34  2  0  0  0  0
 36 38  1  1  0  0  0
 37 39  1  6  0  0  0
M  END
> <LM_ID>
LMST04030209

> <COMMON_NAME>
3alpha,7alpha,16alpha,24R-Tetrahydroxy-5beta-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
3alpha,7alpha,16alpha,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>
DTKOZFZSAFBIMC-KSAFFHOBSA-N

> <INCHI>
InChI=1S/C27H46O6/c1-14(5-6-20(29)15(2)25(32)33)24-22(31)13-19-23-18(8-10-27(19,24)4)26(3)9-7-17(28)11-16(26)12-21(23)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])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](O)C(C)C(=O)O)[C@H](O)C[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931544

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$