Structure Database (LMSD)

Common Name
9,14,19,19,19-pentadeuterio-1alpha,25-dihydroxyprevitamin D3
Systematic Name
(6Z)-(1S,3R)-9,14,19,19,19-pentadeuterio-9,10-seco-5(10),6,8-cholestatriene-1,3,25-triol
Synonyms
  • 9,14,19,19,19-pentadeuterio-1alpha,25-dihydroxyprecholecalciferol
LM ID
LMST03020097
Formula
C27H39D5O3
Exact Mass
Calculate m/z
421.36043
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Secosteroids [ST03]
Vitamin D3 and derivatives [ST0302]

References

Comments
Synthetic deuterated standard

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

String Representations

InChiKey (Click to copy)
DOIZGAFWGREMOD-SGWDTOPTSA-N
InChi (Click to copy)
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h9-11,18,22-25,28-30H,6-8,12-17H2,1-5H3/b11-10-/t18-,22-,23-,24+,25+,27-/m1/s1/i2D3,9D,24D
SMILES (Click to copy)
C(/C1C[C@@H](O)C[C@H](O)C=1C([2H])([2H])[2H])=C/C1[C@]2([2H])CC[C@@]([C@@](C)([H])CCCC(O)(C)C)([H])[C@@]2(C)CCC=1[2H]

Other Databases

CHEBI ID
137823
LIPIDBANK ID
VVD0111
PubChem CID
9547346

Admin

Created at
-
Updated at
3rd Oct 2024