LMST01031144
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    9.4908    7.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4852    9.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6043    9.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6132    8.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3755    9.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3719    8.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1340    8.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375    9.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2582    9.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3755   10.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2474   10.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240   11.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2474   11.4617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9824   10.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8447   11.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7033   10.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5653   11.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3719    7.2547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7033    9.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375    7.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375    6.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6132    6.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4908    6.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8676    8.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9977    7.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9977    6.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8676    6.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375    8.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500    9.9779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4719   11.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6132    7.2513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8482   12.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1406    6.0389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6127    5.0322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7348    5.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  6  1  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  6  7  1  0     0  0
  5 10  1  1     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 11 13  1  1     0  0
 12 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
  6 18  1  6     0  0
 16 19  1  0     0  0
  4 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23  1  2  0     0  0
 20 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 21  1  0     0  0
 20 28  1  1     0  0
  9 29  1  6     0  0
 11 30  1  6     0  0
  4 31  1  6     0  0
 15 32  1  6     0  0
 26 33  1  1     0  0
 22 34  1  6     0  0
 21 35  1  6     0  0
M  END
> <LM_ID>
LMST01031144

> <COMMON_NAME>
(22E,24R)-ergosta-5,22-dien-3beta,5alpha,6alpha-triol

> <SYSTEMATIC_NAME>
5alpha,6alpha-dihydroxy-24R-methyl-cholest-7,22E-dien-3beta-triol

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ARXHRTZAVQOQEU-QYYFJRRUSA-N

> <INCHI>
InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25-,26+,27+,28-/m0/s1

> <SMILES>
C12=C[C@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])/C=C/[C@H](C)C(C)C)CC[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12302765

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5059

> <CITATION>
21452344

$$$$