LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

(25S)-1alpha,25,26-trihydroxy-22-oxavitamin D3

Systematic Name

(5Z,7E)-(1S,3R,25S)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25,26-tetrol

Synonyms

(25S)-1alpha,25,26-trihydroxy-22-oxacholecalciferol

LM ID

LMST03020068

Formula

C₂₆H₄₂O₅

Exact Mass

Calculate m/z

434.303225

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Synthetic studies of vitamin D analogs. XXII. Synthesis and antiproliferation activity of putative metabolites of 1 alpha, 25-dihydroxy-22-oxavitamin D3.,
Chem Pharm Bull (Tokyo), 1996

Pubmed ID: 8996858

String Representations

InChiKey (Click to copy)

HXCKVZWOCQWXIV-MAXBRBBNSA-N

InChi (Click to copy)

InChI=1S/C26H42O5/c1-17-20(14-21(28)15-24(17)29)8-7-19-6-5-11-26(4)22(9-10-23(19)26)18(2)31-13-12-25(3,30)16-27/h7-8,18,21-24,27-30H,1,5-6,9-16H2,2-4H3/b19-7+,20-8-/t18-,21+,22+,23-,24-,25-,26+/m0/s1

SMILES (Click to copy)

[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])OCC[C@@](O)(C)CO)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1