LIPID MAPS

Structure Database (LMSD)

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Common Name

(23S)-23,24,25-trihydroxyvitamin D3

Systematic Name

(5Z,7E)-(3S,23S)-9,10-seco-5,7,10(19)-cholestatriene-3,23,24,25-tetrol

Synonyms

(23S)-23,24,25-trihydroxycholecalciferol

LM ID

LMST03020298

Formula

C₂₇H₄₄O₄

Exact Mass

Calculate m/z

432.32396

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

HNYDOPFRXKGAFR-KQOKQZFRSA-N

InChi (Click to copy)

InChI=1S/C27H44O4/c1-17-8-11-21(28)16-20(17)10-9-19-7-6-14-27(5)22(12-13-23(19)27)18(2)15-24(29)25(30)26(3,4)31/h9-10,18,21-25,28-31H,1,6-8,11-16H2,2-5H3/b19-9+,20-10-/t18-,21+,22-,23+,24+,25?,27-/m1/s1

SMILES (Click to copy)

C1C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([H])([C@@]3(C)CCC\2)[C@]([H])(C)C[C@H](O)C(O)C(O)(C)C)/C[C@@H](O)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Gallus gallus (#9031)

Aves (#8782)

23,24,25-Trihydroxyvitamin D3, 24,25,26-trihydroxyvitamin D3, 24-keto-25-hydroxyvitamin D3, and 23-dehydro-25-hydroxyvitamin D3: new in vivo metabolites of vitamin D3.,
Biochemistry, 1981

Pubmed ID: 6275880