LMST03020126
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0     0  0            999 V2000
    9.7689    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8818    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9947    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9947    7.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8818    8.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8818    9.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7380    9.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7380   10.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8818   11.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7689    7.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8818   12.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7380   12.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5939   12.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5939   11.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3061   11.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3061   12.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   12.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5939   13.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5939   10.7044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2008   13.3714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   13.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3061   14.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1621   13.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0181   14.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8741   13.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7301   14.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8741   12.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   14.9148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4952   14.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0181   15.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7302   13.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1386    8.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6249    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0258    9.9723    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    7.1386    9.3798    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    6.2825    7.8970    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  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
 24 30  1  1  0  0  0
 25 31  1  0  0  0  0
  4 32  2  0  0  0  0
  1 33  1  1  0  0  0
  6 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
> <LM_ID>
LMST03020126

> <COMMON_NAME>
(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3

> <SYSTEMATIC_NAME>
(5E,7E)-(3S,24R)-[6,19,19-trideuterio-]-9,10-seco-5,7,10(19)-cholestatriene-3,24,25-triol

> <FORMULA>
C27H41D3O3

> <MASS>
419.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol

> <INCHI_KEY>
FCKJYANJHNLEEP-GELOLRRZSA-N

> <INCHI>
InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11+/t19-,22+,23-,24+,25-,27-/m1/s1/i1D2,11D

> <SMILES>
[C@@H]1(O)C/C(=C(/[2H])\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])CC[C@@H](O)C(O)(C)C)([H])[C@@]3(C)CCC\2)/C(=C(/[2H])\[2H])/CC1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB06226

> <CHEBI_ID>
196393

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547371

> <LIPIDBANK_ID>
VVD0144

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$