LIPID MAPS

Structure Database (LMSD)

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Common Name

(10E)-19-fluorovitamin D3

Systematic Name

(5Z,7E,10E)-(3S)-19-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol

Synonyms

(10E)-19-fluorocholecalciferol

LM ID

LMST03020199

Formula

C₂₇H₄₃OF

Exact Mass

Calculate m/z

402.329793

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

GBYUWSOLZWQQPT-KQBPVQGJSA-N

InChi (Click to copy)

InChI=1S/C27H43FO/c1-19(2)7-5-8-20(3)25-14-15-26-21(9-6-16-27(25,26)4)10-11-22-17-24(29)13-12-23(22)18-28/h10-11,18-20,24-26,29H,5-9,12-17H2,1-4H3/b21-10+,22-11-,23-18+/t20-,24+,25-,26+,27-/m1/s1

SMILES (Click to copy)

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Fluorinated vitamin D analogs to probe the conformation of vitamin D in its receptor complex: 19F-NMR studies and biological activity.,
Chem Pharm Bull (Tokyo), 2002

Pubmed ID: 11963993