LMST04010371
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.3538    8.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4087    8.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4087    7.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3538    6.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990    7.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2442    6.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1894    7.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1894    8.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2442    8.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990    8.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2442    9.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1894   10.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1345    9.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1345    8.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0249    8.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0249    9.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0797   10.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1345   10.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990    8.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0797   11.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1909   11.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8359   11.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5920   11.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3481   11.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3217   10.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1894   11.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3481   12.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1041   11.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1894    9.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2234    7.8048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1345    7.8758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6918   10.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0797   12.1639    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
  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
  3 25  1  6  0  0  0
 11 26  1  6  0  0  0
 12 27  1  1  0  0  0
  5 28  1  1  0  0  0
 24 29  2  0  0  0  0
 24 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
 17 34  1  6  0  0  0
 20 35  1  1  0  0  0
M  END
> <LM_ID>
LMST04010371

> <COMMON_NAME>
11alpha-hydroxylithocholic acid

> <SYSTEMATIC_NAME>
3alpha,11alpha,12beta-Trihydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O5

> <MASS>
408.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ASTJGIPTRWBWLM-ITFKBJAYSA-N

> <INCHI>
InChI=1S/C24H40O5/c1-13(4-9-19(26)27)17-7-8-18-16-6-5-14-12-15(25)10-11-23(14,2)20(16)21(28)22(29)24(17,18)3/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17-,18+,20-,21+,22-,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])[C@H](O)[C@@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186731

> <ABBREVIATION>
ST 24:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284116

> <LIPIDBANK_ID>
BBA0655

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40380

> <CITATION>
42906741

$$$$