LMST03020637
  LIPID_MAPS_STRUCTURE_DATABASE

 38 40  0  0  0  0  0  0  0  0999 V2000
    6.2560    6.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2560    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9604    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    6.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9604    6.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9604    7.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    8.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    8.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3692    9.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3692   10.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   10.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9604   10.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9604    9.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428    9.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6208    9.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428   10.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428   11.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8471   11.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5516   11.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3663    6.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3692    8.4944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3663    5.2492    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3692   10.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4412   11.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2559   10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9604   10.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6647    9.9658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428   11.9993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8761   10.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2828   10.1969    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   12.4694   11.6057    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   13.5805   11.3079    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   11.9604    9.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7738    9.3184    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   11.9604    8.5050    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   11.1470    9.3184    0.0000 D   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  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 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  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  5 22  2  0  0  0  0
 19 20  1  0  0  0  0
  2 21  1  6  0  0  0
  4 24  1  1  0  0  0
 11 25  1  1  0  0  0
 10 23  1  6  0  0  0
 18 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 26  1  0  0  0  0
 20 27  3  0  0  0  0
 27 28  1  0  0  0  0
 28 31  1  0  0  0  0
 28 35  1  0  0  0  0
 28 29  1  0  0  0  0
 18 30  1  1  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
> <LM_ID>
LMST03020637

> <COMMON_NAME>
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3

> <SYSTEMATIC_NAME>
(5Z,7E,16Z)-(1S,3R)-1-fluoro-13-yne-26,26,26,27,27,27-hexadeutero-9,10-seco-5,7,10(19),16-cholestatetraen-3,25-diol

> <FORMULA>
C27H31D6FO2

> <MASS>
418.32

> <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>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24779633

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active (Isotopically labelled standard)

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020637

$$$$