LIPID MAPS

Structure Database (LMSD)

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Common Name

1alpha,25-dihydroxy-24-oxovitamin D3

Systematic Name

(5Z,7E)-(1S,3R)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrien-24-one

Synonyms

1alpha,25-dihydroxy-24-oxocholecalciferol

LM ID

LMST03020186

Formula

C₂₇H₄₂O₄

Exact Mass

Calculate m/z

430.30831

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

BWFQMABKLLTETH-YGQRWWDYSA-N

InChi (Click to copy)

InChI=1S/C27H42O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-24,28-29,31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,27-/m1/s1

SMILES (Click to copy)

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rattus norvegicus (#10116)

Mammalia (#40674)

Isolation and identification of 1,25-dihydroxy-24-oxo-vitamin D3 and 1,23,25-trihydroxy-24-oxo-vitamin D3. New metabolites of vitamin D3 produced by a C-24 oxidation pathway of metabolism for 1,25-dihydroxyvitamin D3 present in intestine and kidney.,
J Biol Chem, 1983

Pubmed ID: 6315697