Structure Database (LMSD)
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
Synonyms
- 5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol
LM ID
LMST03020126
Formula
Exact Mass
Calculate m/z
419.347876
Status
Active (Isotopically labelled standard)
3D model of (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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)
FCKJYANJHNLEEP-GELOLRRZSA-N
InChi (Click to copy)
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 (Click to copy)
[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
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Created at
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Updated at
3rd Oct 2024