LMST03020361
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.4542    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980    7.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5419    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5419    8.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980    9.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980   10.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4208   11.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4208   12.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980   12.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542    8.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980   13.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4208   14.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3435   13.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3435   12.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1889   12.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1889   13.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2662   14.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3435   14.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2635    9.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2662   15.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3986   15.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0044   15.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7426   15.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4808   15.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2187   15.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9571   15.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2187   14.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2635    7.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0280   14.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3435   11.8519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0755   14.7266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2662   15.9209    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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 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  2  0  0  0  0
 20 21  1  1  0  0  0
  2 28  1  1  0  0  0
  1 29  1  6  0  0  0
  3 30  1  1  0  0  0
 25 31  1  0  0  0  0
 14 32  1  6  0  0  0
 17 33  1  6  0  0  0
 20 34  1  6  0  0  0
M  END
> <LM_ID>
LMST03020361

> <COMMON_NAME>
2alpha-methyl-3-epi-20-epi-1beta,25-dihydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1R,2S,3S,20S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2alpha-methyl-3-epi-20-epi-1beta,25-dihydroxycholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283789

> <LIPIDBANK_ID>
VVD0445

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020361

$$$$