LMST04030148
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.8990    7.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1152    6.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1152    5.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8990    5.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6828    5.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667    5.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2506    5.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2506    6.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667    7.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6828    6.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667    8.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2506    8.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0344    8.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0344    7.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6022    7.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6022    8.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8184    8.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0344    8.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6828    7.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8184    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0813    9.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4454    9.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0725    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6996    9.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3266    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9537    9.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3266    8.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3260    8.7764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8184    9.9795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.4442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9537   10.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4693    9.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7711    5.2475    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  2  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
  3 30  1  1  0  0  0
 26 31  2  0  0  0  0
 26 32  1  0  0  0  0
  7 33  1  6  0  0  0
M  END
> <LM_ID>
LMST04030148

> <COMMON_NAME>
3beta,7alpha-dihydroxycholest-5-en-27-oic acid

> <SYSTEMATIC_NAME>
3beta,7alpha-dihydroxycholest-5-en-26-oic acid

> <FORMULA>
C27H44O4

> <MASS>
432.32

> <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>
GYJSAWZGYQXRBS-MHVQQGETSA-N

> <INCHI>
InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20-,21?,22?,23-,24?,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C(O)=O)CCC4C3[C@H](O)C=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24779658

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$