LMST03020578
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0     0  0            999 V2000
    9.3512    6.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4680    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5848    6.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5848    7.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4680    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4680    9.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3203    9.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3203   10.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4680   11.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3512    7.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4680   12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3203   12.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724   12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724   11.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8770   11.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8770   12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0248   12.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724   13.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724   10.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0248   13.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8770   14.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7293   13.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5815   14.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4336   13.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2859   14.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4336   12.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0248   14.8769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0743   14.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2035    8.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2033    6.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2859   13.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0556    6.8705    0.0000 O   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  2  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  0  0  0  0
 21 20  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
 24 26  1  0  0  0  0
 20 27  1  1  0  0  0
 20 28  1  6  0  0  0
 10 29  2  0  0  0  0
  3 30  1  6  0  0  0
  1 31  1  1  0  0  0
 24 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
> <LM_ID>
LMST03020578

> <COMMON_NAME>
25-hydroxy-1alpha-hydroxymethyl-16,17-didehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3S)-1-hydroxymethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol

> <FORMULA>
C28H44O3

> <MASS>
428.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
25-hydroxy-1alpha-hydroxymethyl-16,17-didehydrocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547673

> <LIPIDBANK_ID>
VVD0679

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020578

$$$$