LMST04030201
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.8971    7.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1143    6.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1143    5.8481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8971    5.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6799    5.8481    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4625    5.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2455    5.8481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2455    6.7518    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4625    7.2039    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6799    6.7518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4625    8.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2455    8.5597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0281    8.1076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0281    7.2039    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5937    7.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5937    8.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8110    8.5597    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0281    8.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6799    7.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8110    9.2827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0749    9.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4372    9.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0633    9.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6896    9.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3156    9.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9420    9.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3179    8.8523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8110   10.0538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8322    5.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2455    9.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6799    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2455    7.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4454    6.4437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0281    6.5024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3156    8.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5329    8.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0984    8.2204    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 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 36  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
 12 31  1  6  0  0  0
  5 32  1  1  0  0  0
  8 33  1  1  0  0  0
  9 34  1  6  0  0  0
 14 35  1  6  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
M  END
> <LM_ID>
LMST04030201

> <COMMON_NAME>
3alpha,7alpha,12alpha-Trihydroxy-5beta-24Z-cholesten-26-oic acid

> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha-Trihydroxy-5beta-24Z-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>
VXQOOUCCLSSSSV-DAKXIUMLSA-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/h7,15,17-24,28-30H,5-6,8-14H2,1-4H3,(H,31,32)/b16-7-/t15-,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)CC/C=C(\C(O)=O)/C)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>
10026694

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$