LIPID MAPS

Structure Database (LMSD)

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Common Name

(24R)-1alpha,24,25-trihydroxyvitamin D2

Systematic Name

(5Z,7E,22E)-(1S,3R,24R)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,24,25-tetrol

Synonyms

(24R)-1alpha,24,25-trihydroxyergocalciferol

LM ID

LMST03010051

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

Rattus norvegicus (#10116)

Mammalia (#40674)

Isolation and identification of 1,24,25-trihydroxyvitamin D2, 1,24,25,28-tetrahydroxyvitamin D2, and 1,24,25,26-tetrahydroxyvitamin D2: new metabolites of 1,25-dihydroxyvitamin D2 produced in rat kidney.,
Biochemistry, 1986

Pubmed ID: 3490274

String Representations

InChiKey (Click to copy)

KRGCLKZOZQUAFK-ABEKVIRTSA-N

InChi (Click to copy)

InChI=1S/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,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@@](C)(O)C(O)(C)C)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1