LMST03020531
  LIPID_MAPS_STRUCTURE_DATABASE

 39 41  0     0  0            999 V2000
    9.3652    6.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4772    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5893    6.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5893    7.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4772    8.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4772    9.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3341    9.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3341   10.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4772   11.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652    7.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4772   12.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3341   12.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1908   12.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1908   11.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9045   11.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9045   12.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0476   12.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1908   13.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1908   10.7082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7990   13.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0476   13.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9044   14.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7612   13.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6179   14.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4747   13.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3315   14.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4747   12.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0476   14.9222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0921   14.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2219    8.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2218    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3315   13.4383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1882   13.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3315   12.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3315   11.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1881   10.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0450   14.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9016   13.9330    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
  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
 14 19  1  6  0  0  0
 17 20  1  6  0  0  0
 17 21  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  1  0  0  0
 21 29  1  6  0  0  0
 10 30  2  0  0  0  0
  3 31  1  6  0  0  0
  1 32  1  1  0  0  0
 25 33  1  0  0  0  0
 34 26  1  0  0  0  0
 35 27  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <LM_ID>
LMST03020531

> <COMMON_NAME>
1alpha,25-dihydroxy-26,27-dipropylvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-26,27-dipropyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C33H56O3

> <MASS>
500.42

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-26,27-dipropylcholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547635

> <LIPIDBANK_ID>
VVD0622

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020531

$$$$