LMST04030205
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9101    7.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1198    6.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1198    5.8539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9101    5.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7006    5.8539    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4908    5.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2814    5.8539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2814    6.7665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4908    7.2229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7006    6.7665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4908    8.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2814    8.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0716    8.1354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0716    7.2229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6524    8.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8620    8.5918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0716    8.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7006    7.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8620    9.3219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1188    9.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4943    9.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1266    9.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7590    9.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3910    9.3219    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3739    8.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8620   10.1005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8738    5.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7006    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5432    9.3421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2814    7.5423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4735    6.4553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0716    6.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3910    8.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0235    9.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0581   10.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6524    7.2229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2286    6.6467    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 37  1  0  0  0  0
 37 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 35  1  0  0  0  0
 24 34  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 16  1  0  0  0  0
 13 17  1  1  0  0  0
 10 18  1  1  0  0  0
 19 20  1  6  0  0  0
 16 25  1  6  0  0  0
 19 26  1  1  0  0  0
  3 27  1  6  0  0  0
  7 28  1  6  0  0  0
  5 29  1  1  0  0  0
 35 30  1  0  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
 35 36  2  0  0  0  0
 37 38  1  6  0  0  0
M  END
> <LM_ID>
LMST04030205

> <COMMON_NAME>
3alpha,7alpha,15alpha-Trihydroxy-5beta-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
3alpha,7alpha,15alpha-Trihydroxy-5beta-cholestan-26-oic acid

> <FORMULA>
C27H46O5

> <MASS>
450.33

> <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>
SDIPBUBOKSYEJS-WNIYEVCNSA-N

> <INCHI>
InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)20-14-22(30)24-23-19(9-11-27(20,24)4)26(3)10-8-18(28)12-17(26)13-21(23)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,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)CCCC(C)C(=O)O)C[C@H](O)[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;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931540

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$