LMST03020101
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
    9.2627    6.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4849    6.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4849    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    8.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    9.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2315    9.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2315   10.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738   11.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2627    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738   12.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2315   12.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0891   12.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0891   11.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8048   11.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8048   12.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9471   12.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0891   12.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0149    8.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.1396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0891   10.4131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9471   13.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8048   14.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9471   14.6317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9904   13.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6623   13.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6528   13.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5105   14.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3682   13.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5105   15.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3682   14.6317    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
 10 19  2  0  0  0  0
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
 17 22  1  0  0  0  0
 23 22  1  0  0  0  0
 22 24  1  1  0  0  0
 22 25  1  6  0  0  0
 26 23  1  0  0  0  0
 26 27  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <LM_ID>
LMST03020101

> <COMMON_NAME>
(23Z)-25-hydroxy-16,17,23,24-tetradehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E,23Z)-(3S)-9,10-seco-5,7,10(19),16,23-cholestapentaene-3,25-diol

> <FORMULA>
C27H40O2

> <MASS>
396.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(23Z)-25-hydroxy-16,17,23,24-tetradehydrocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
169835

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547350

> <LIPIDBANK_ID>
VVD0116

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020101

$$$$