LMST04010318
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.8655    7.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1011    6.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1011    5.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8655    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6298    5.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3941    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1585    5.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1585    6.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3941    7.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6298    6.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3941    7.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1585    8.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9227    7.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9227    7.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4515    7.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4515    7.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6871    8.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9227    8.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6298    7.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6871    9.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9684    9.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2986    9.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9101    9.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5215    9.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6871    9.7955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5215   10.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1329    9.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1585    7.3217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3774    6.2705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9227    6.3279    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  2  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  2  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  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  1  0  0  0
 20 25  1  6  0  0  0
  3 26  1  1  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
  8 29  1  1  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
M  END
> <LM_ID>
LMST04010318

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid

> <FORMULA>
C24H34O3

> <MASS>
370.25

> <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>
CZPJWQWXLQPNCL-DEEPXXBCSA-N

> <INCHI>
InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h4-5,7,9,15,17-18,20-21,25H,6,8,10-14H2,1-3H3,(H,26,27)/b9-4+/t15-,17-,18-,20-,21-,23-,24+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)C([C@@]([H])(C)/C=C/C(O)=O)=CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179988

> <ABBREVIATION>
ST 24:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284065

> <LIPIDBANK_ID>
BBA0602

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$