LMST03020096
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    9.2632    6.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4849    6.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4849    7.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740    8.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740    9.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321    9.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321   10.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740   11.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2632    7.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740   12.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321   12.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0899   12.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0899   11.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8060   11.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8060   12.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9481   12.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0899   13.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0156    8.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0899   10.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9481   13.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8059   14.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9481   14.9339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9911   14.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7966   14.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7872   14.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7779   14.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7779   13.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6358   14.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6358   13.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1211    6.3786    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
 23 26  1  0  0  0  0
 26 27  3  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  1 32  1  1  0  0  0
M  END
> <LM_ID>
LMST03020096

> <COMMON_NAME>
1alpha,25-dihydroxy-16,17,23,23,24,24-hexadehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-1,3,25-triol

> <FORMULA>
C27H38O3

> <MASS>
410.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol; 1,25-dihydroxy-16-ene-23-yne-vitamin D3

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6438384

> <LIPIDBANK_ID>
VVD0106

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020096

$$$$