LMST04030187
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9205    7.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1241    6.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1241    5.8584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9205    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7169    5.8584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5132    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3097    5.8584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3097    6.7780    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5132    7.2379    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7169    6.7780    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5132    8.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3097    8.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1060    8.1574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1060    7.2379    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6989    7.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6989    8.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    8.6173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1060    8.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7169    7.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    9.3529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1536    9.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5396    9.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1767    9.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4509    9.3529    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0881    9.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4509    8.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4183    8.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025   10.1374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9067    5.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7169    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0881   10.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6118    9.3735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3097    7.5599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4959    6.4644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1060    6.5243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8139    9.7208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7790   10.5010    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 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 37  1  0  0  0  0
 37 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  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 27  1  6  0  0  0
 20 28  1  1  0  0  0
  3 29  1  6  0  0  0
  7 30  1  6  0  0  0
  5 31  1  6  0  0  0
 25 32  2  0  0  0  0
 25 33  1  0  0  0  0
  8 34  1  1  0  0  0
  9 35  1  6  0  0  0
 14 36  1  6  0  0  0
 37 38  1  0  0  0  0
M  END
> <LM_ID>
LMST04030187

> <COMMON_NAME>
3alpha,7alpha,24-trihydroxy-5alpha-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
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-BVGYEHLVSA-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(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>
52931526

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$