CHEBI:73927 - 1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3
ChEBI ID CHEBI:73927
ChEBI ASCII Name 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3
Definition A hydroxycalciol that is calcitriol with a 3-hydroxypropoxy group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H50O5
Net Charge 0
Average Mass 490.71500
Monoisotopic Mass 490.366
InChI InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1
InChIKey FZEXGDDBXLBRTD-AYIMTCTASA-N
SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
fat-soluble vitamin
Vitamins like A, D, E and K that dissolve in fats and are stored in body tissues. Unlike the water-soluble vitamins, these are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via vitamin D )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3 (CHEBI:73927) has functional parent calcitriol (CHEBI:17823)
1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3 (CHEBI:73927) has role metabolite (CHEBI:25212)
1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3 (CHEBI:73927) is a D3 vitamins (CHEBI:73558)
1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3 (CHEBI:73927) is a hydroxycalciol (CHEBI:47042)
1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3 (CHEBI:73927) is a tetrol (CHEBI:33573)
IUPAC Name
(1R,2R,3R,5Z,7E)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
Synonyms Sources
(5Z,7E)-(1R,2R,3R)-2-(3-hydroxypropoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol LIPID MAPS
1α,25-dihydroxy-2β-(3-hydroxypropoxy)cholecalciferol LIPID MAPS
Eldecalcitol ChemIDplus
Database Links Databases
5169 DrugCentral
LMST03020477 LIPID MAPS
View more database links
Registry Numbers Types Sources
104121-92-8 CAS Registry Number ChemIDplus
7318752 Reaxys Registry Number Reaxys
Last Modified
22 February 2017