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CHEBI:233814 - 1-alpha-25,26-dihydroxy-vitamin D3

Default Structure
ChEBI IDCHEBI:233814
ChEBI Name1-alpha-25,26-dihydroxy-vitamin D3
Stars
DefinitionA hydroxycalciol that consists of vitamin D3 (calciol) bearing additional hydroxy substituents at positions 1, 25 and 26 (with 1α configuration). An intermediate in the degradation pathway of 1α,25-(OH)2D3.
Last Modified19 May 2026
SubmitterJoanne
DownloadsMolfile
FormulaC27H44O4
Net Charge0
Average Mass432.645
Monoisotopic Mass432.32396
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(O)CO)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
InChIInChI=1S/C27H44O4/c1-18(7-5-13-26(3,31)17-28)23-11-12-24-20(8-6-14-27(23,24)4)9-10-21-15-22(29)16-25(30)19(21)2/h9-10,18,22-25,28-31H,2,5-8,11-17H2,1,3-4H3/b20-9+,21-10-/t18-,22-,23-,24+,25+,26?,27-/m1/s1
InChIKeyLUMQIGNPUDCMLN-QRMWMMICSA-N
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
fat-soluble vitamin (role)  Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
ChEBI Ontology
Outgoing Relation(s)
1-alpha-25,26-dihydroxy-vitamin D3 (CHEBI:233814) has functional parent calciol (CHEBI:28940)
1-alpha-25,26-dihydroxy-vitamin D3 (CHEBI:233814) has role human metabolite (CHEBI:77746)
1-alpha-25,26-dihydroxy-vitamin D3 (CHEBI:233814) is a D3 vitamins (CHEBI:73558)
1-alpha-25,26-dihydroxy-vitamin D3 (CHEBI:233814) is a hydroxycalciol (CHEBI:47042)
1-alpha-25,26-dihydroxy-vitamin D3 (CHEBI:233814) is a organic molecular entity (CHEBI:50860)
1-alpha-25,26-dihydroxy-vitamin D3 (CHEBI:233814) is a tetrol (CHEBI:33573)
IUPAC Name 
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Citations