LIPID MAPS

Structure Database (LMSD)

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Common Name

1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3

Systematic Name

(5Z,7E)-(1R,2R,3R)-2-(5-hydroxypentoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

Synonyms

1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)cholecalciferol

LM ID

LMST03020527

Formula

C₃₂H₅₄O₅

Exact Mass

Calculate m/z

518.397125

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

VPYQEVIBWOHVEF-OVXGCANASA-N

InChi (Click to copy)

InChI=1S/C32H54O5/c1-22(11-9-17-31(3,4)36)26-15-16-27-24(12-10-18-32(26,27)5)13-14-25-21-28(34)30(29(35)23(25)2)37-20-8-6-7-19-33/h13-14,22,26-30,33-36H,2,6-12,15-21H2,1,3-5H3/b24-13+,25-14-/t22-,26-,27+,28-,29-,30-,32-/m1/s1

SMILES (Click to copy)

[C@@H]1(O)C(=C)/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)[C@H]1OCCCCCO

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Synthetic studies of vitamin D analogs. XXIV. Synthesis of active vitamin D3 analogs substituted at the 2 beta-position and their preventive effects on bone mineral loss in ovariectomized rats.,
Chem Pharm Bull (Tokyo), 1997

Pubmed ID: 9353890