LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

1alpha,25-dihydroxy-24-nor-22-oxavitamin D3

Systematic Name

(5Z,7E)-(1S,3R)-24-nor-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

Synonyms

1alpha,25-dihydroxy-24-nor-22-oxacholecalciferol

LM ID

LMST03020030

Formula

C₂₅H₄₀O₄

Exact Mass

Calculate m/z

404.29266

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Synthetic studies of vitamin D analogues. XI. Synthesis and differentiation-inducing activity of 1 alpha,25-dihydroxy-22-oxavitamin D3 analogues.,
Chem Pharm Bull (Tokyo), 1992

Pubmed ID: 1327561

String Representations

InChiKey (Click to copy)

UMRLCGLUMINBCT-NPNXQCSOSA-N

InChi (Click to copy)

InChI=1S/C25H40O4/c1-16-19(13-20(26)14-23(16)27)9-8-18-7-6-12-25(5)21(10-11-22(18)25)17(2)29-15-24(3,4)28/h8-9,17,20-23,26-28H,1,6-7,10-15H2,2-5H3/b18-8+,19-9-/t17-,20+,21+,22-,23-,25+/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(O)(C)C)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1