LMST03020389
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.8152    5.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0208    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2266    5.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2266    6.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0208    7.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0208    8.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7874    8.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7874    9.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0208    9.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8152    6.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0208   10.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7874   11.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5537   10.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5537    9.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0868    9.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0868   10.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3203   11.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5537   11.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    7.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3203   11.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5996   12.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9335   12.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5467   11.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1598   12.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7729   11.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3862   12.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7729   11.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    5.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4451   11.4565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5537    9.1368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9925   11.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3203   12.5167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0125   11.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3825   11.2320    0.0000 C   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  6  0  0  0
  1 28  1  1  0  0  0
  3 29  1  6  0  0  0
 25 30  1  0  0  0  0
 14 31  1  6  0  0  0
 17 32  1  6  0  0  0
 20 33  1  1  0  0  0
 23 34  1  6  0  0  0
 23 35  1  1  0  0  0
M  END
> <LM_ID>
LMST03020389

> <COMMON_NAME>
(23R)-1alpha,23,25-trihydroxy-23-methylvitamin D3 / (23R)-1alpha,23,25-trihydroxy-23-methylcholecalciferol

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,23R)-23-methyl-9,10-seco-5,7,10(19)-cholestatrien-1,3,23,25-tetrol

> <FORMULA>
C28H46O4

> <MASS>
446.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
178548

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283796

> <LIPIDBANK_ID>
VVD0473

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020389

$$$$