LIPID MAPS

Structure Database (LMSD)

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Common Name

1alpha,25,28-trihydroxyvitamin D2

Systematic Name

(5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,25,28-tetrol

Synonyms

1alpha,25,28-trihydroxyergocalciferol

LM ID

LMST03010053

Formula

C₂₈H₄₄O₄

Exact Mass

Calculate m/z

444.32396

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)

Effect of 1,25,28-trihydroxyvitamin D2 and 1,24,25-trihydroxyvitamin D3 on intestinal calbindin-D9K mRNA and protein: is there a correlation with intestinal calcium transport?,
J Bone Miner Res, 1993

Pubmed ID: 8304050

String Representations

InChiKey (Click to copy)

UHMSHZFVGABXAS-KIAAZJKISA-N

InChi (Click to copy)

InChI=1S/C28H44O4/c1-18(8-11-22(17-29)27(3,4)32)24-12-13-25-20(7-6-14-28(24,25)5)9-10-21-15-23(30)16-26(31)19(21)2/h8-11,18,22-26,29-32H,2,6-7,12-17H2,1,3-5H3/b11-8+,20-9+,21-10-/t18-,22-,23-,24-,25+,26+,28-/m1/s1

SMILES (Click to copy)

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