CHEBI:63911 - (24S)-1α,24,25-trihydroxyvitamin D3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (24S)-1α,24,25-trihydroxyvitamin D3
ChEBI ID CHEBI:63911
ChEBI ASCII Name (24S)-1alpha,24,25-trihydroxyvitamin D3
Definition A hydroxycalciol that consists of vitamin D3 (calciol) bearing additional hydroxy substituents at positions 1, 24 and 25 (with 1S,24S-configuration).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H44O4
Net Charge 0
Average Mass 432.63590
Monoisotopic Mass 432.32396
InChI InChI=1S/C27H44O4/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/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25+,27-/m1/s1
InChIKey WFZKUWGUJVKMHC-NABJBPAWSA-N
SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC[C@H](O)C(C)(C)O
ChEBI Ontology
Outgoing (24S)-1α,24,25-trihydroxyvitamin D3 (CHEBI:63911) is a hydroxycalciol (CHEBI:47042)
IUPAC Name
(1S,3R,5Z,7E,24S)-9,10-secocholesta-5,7,10-triene-1,3,24,25-tetrol
Synonyms Sources
(24S)-1α,24,25-trihydroxycholecalciferol LIPID MAPS
(5Z,7E)-(1S,3R,24S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol LIPID MAPS
Manual Xref Database
LMST03020294 LIPID MAPS
View more database links
Registry Number Type Source
6443063 Reaxys Registry Number Reaxys
Last Modified
14 February 2012