LMST04010433
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.8739    7.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1046    6.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1046    5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8739    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6431    5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1816    5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1816    6.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6431    6.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1816    8.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9507    7.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9507    7.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4893    7.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4893    7.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7201    8.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9507    8.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6431    7.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7201    9.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9967    9.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3354    9.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9508    9.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5662    9.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5662   10.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1815    9.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3955    6.2770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9507    6.3349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2182    8.6440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7201    9.8247    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  2  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  1  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
  9 28  1  6  0  0  0
 14 29  1  6  0  0  0
 17 30  1  6  0  0  0
 20 31  1  1  0  0  0
M  END
> <LM_ID>
LMST04010433

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta-Hydroxychola-5,7-dien-24-oic Acid

> <FORMULA>
C24H36O3

> <MASS>
372.27

> <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>
UBBPXHZUVZMTRS-CJIKWYIWSA-N

> <INCHI>
InChI=1S/C24H36O3/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/h5-6,15,17,19-21,25H,4,7-14H2,1-3H3,(H,26,27)/t15-,17+,19-,20+,21+,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4([H])C3=CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186608

> <ABBREVIATION>
ST 24:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284174

> <LIPIDBANK_ID>
BBA0717

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$