LMST04030151
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.2689    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9833    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4123    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1267    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1267    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6978    6.0725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4123    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    7.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1108    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    7.7225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8412    8.1350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8412    8.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    8.5475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1267    9.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4227    8.6034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    8.3899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2683    9.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5538    9.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6972    9.1868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6972    8.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9827    9.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4116   10.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4116    9.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1262    9.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8393    9.1868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2560    9.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 24  1  6  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  6  3  1  0  0  0  0
  6 14  1  1  0  0  0
  7  6  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  6  0  0  0
  8  7  1  0  0  0  0
 17  8  1  0  0  0  0
  8 16  1  1  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 23  1  6  0  0  0
 10  4  1  0  0  0  0
  6 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 25  1  1  0  0  0
 11 21  1  0  0  0  0
 17 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  6  0  0  0
 18 27  1  0  0  0  0
 18 21  1  0  0  0  0
 18 19  1  1  0  0  0
 21 22  1  6  0  0  0
 27 26  1  6  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  0  0  0  0
 36 29  1  0  0  0  0
 30 32  1  0  0  0  0
 30 34  1  0  0  0  0
 30 31  1  6  0  0  0
 34 33  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  6  0  0  0
M  END
> <LM_ID>
LMST04030151

> <COMMON_NAME>
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
(25R)-3alpha,7alpha,12alpha-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>
(3alpha,5beta,7alpha,12alpha,25R)-3,7,12-trihydroxycholestan-26-oic acid

> <INCHI_KEY>
CNWPIIOQKZNXBB-WBYPBBSPSA-N

> <INCHI>
InChI=1S/C27H46O5/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/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>
C1C[C@]2([C@]([H])(C[C@@H](O)[C@@]3([H])[C@@]4([H])[C@](C)([C@@H](O)C[C@]23[H])[C@]([C@H](C)CCC[C@@H](C)C(O)=O)([H])CC4)C[C@@H]1O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
48043

> <ABBREVIATION>
ST 27:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000000429

> <PUBCHEM_COMPOUND_ID>
23657849

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$