LMST04030183
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9307    7.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1284    6.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1284    5.8630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9307    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.8630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5355    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3380    5.8630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3380    6.7895    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5355    7.2528    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    6.7895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5355    8.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3380    8.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1403    8.1793    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1403    7.2528    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7451    7.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7451    8.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9428    8.6428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1403    8.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    7.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9428    9.3839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1883    9.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5848    9.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2267    9.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8685    9.7545    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.5103    9.3839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1524    9.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5103    8.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625    8.9426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9428   10.1743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9395    5.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8671   10.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1524   10.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6801    9.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3380    7.5772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5180    6.4736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1403    6.5339    0.0000 H   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 27  1  6  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  6  0  0  0
  7 31  1  6  0  0  0
 24 32  1  0  0  0  0
  5 33  1  6  0  0  0
 26 34  2  0  0  0  0
 26 35  1  0  0  0  0
  8 36  1  1  0  0  0
  9 37  1  6  0  0  0
 14 38  1  6  0  0  0
M  END
> <LM_ID>
LMST04030183

> <COMMON_NAME>
(25R)-3alpha,7alpha,24-trihydroxy-5alpha-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
(25R)-3alpha,7alpha,24-trihydroxy-5alpha-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>
MCVJTZAENNGXTM-AJOIYHQOSA-N

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

> <ABBREVIATION>
ST 27:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931523

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$