LIPID MAPS

Structure Database (LMSD)

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Common Name

25-dihydroxy-19-norvitamin D3

Systematic Name

(7E)-(3S)-19-nor-9,10-seco-5,7-cholestadiene-3,25-diol

Synonyms

25-dihydroxy-19-norcholecalciferol

LM ID

LMST03020565

Formula

C₂₆H₄₄O₂

Exact Mass

Calculate m/z

388.33413

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

LJMDYVKRZKWSKK-QNVYRYJHSA-N

InChi (Click to copy)

InChI=1S/C26H44O2/c1-19(8-6-16-25(2,3)28)23-14-15-24-21(10-7-17-26(23,24)4)13-12-20-9-5-11-22(27)18-20/h12-13,19,22-24,27-28H,5-11,14-18H2,1-4H3/b20-12+,21-13+/t19-,22+,23-,24+,26-/m1/s1

SMILES (Click to copy)

C1C/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])CCCC(O)(C)C)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Singly dehydroxylated A-ring analogues of 19-nor-1alpha,25-dihydroxyvitamin D3 and 19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3: novel vitamin D3 analogues with potent transcriptional activity but extremely low affinity for vitamin D receptor.,
Biol Pharm Bull, 1998

Pubmed ID: 9881643