LMST04030186
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9186    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1233    6.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1233    5.9967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9186    5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7139    5.9967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5092    5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3046    5.9967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3046    6.9150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5092    7.3743    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7139    6.9150    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5092    8.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3046    8.7519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0998    8.2925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0998    7.3743    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6906    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6906    8.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8952    8.7519    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0998    9.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7139    7.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8952    9.4865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1473    9.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5314    9.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1677    9.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8040    9.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4401    9.4865    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0763    9.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4401    8.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4102    9.0492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8952   10.2698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9007    5.5657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3046    9.4386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7139    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0763   10.3816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5995    9.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3046    7.6957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4918    6.6019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0998    6.6617    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  2  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  6  0  0  0
  7 31  1  6  0  0  0
 12 32  1  6  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>
LMST04030186

> <COMMON_NAME>
3alpha,7alpha,12alpha-trihydroxy-5alpha-23E-cholesten-26-oic acid

> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha-trihydroxy-5alpha-23E-cholesten-26-oic acid

> <FORMULA>
C27H44O5

> <MASS>
448.32

> <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>
QSXDPPCWQOXDPP-XUEHYCCOSA-N

> <INCHI>
InChI=1S/C27H44O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h5,7,15-24,28-30H,6,8-14H2,1-4H3,(H,31,32)/b7-5+/t15-,16?,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)C/C=C/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 27:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284243

> <LIPIDBANK_ID>
BBA0395

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
161934

> <CITATION>
19638645

$$$$