LIPID MAPS

Structure Database (LMSD)

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Common Name

(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2

Systematic Name

(5Z,7E,22E)-(1S,3R,24R,25)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,24,25,26-pentol

Synonyms

(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol

LM ID

LMST03010054

Formula

C₂₈H₄₄O₅

Exact Mass

Calculate m/z

460.318875

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

JIKNSRWYDSGVIZ-SEDDFBIYSA-N

InChi (Click to copy)

InChI=1S/C28H44O5/c1-18(12-14-27(4,32)28(5,33)17-29)23-10-11-24-20(7-6-13-26(23,24)3)8-9-21-15-22(30)16-25(31)19(21)2/h8-9,12,14,18,22-25,29-33H,2,6-7,10-11,13,15-17H2,1,3-5H3/b14-12+,20-8+,21-9-/t18-,22-,23-,24+,25+,26-,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)CO)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1

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