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CHEBI:757664 - ercalcitriol

Default Structure
ChEBI IDCHEBI:757664
ChEBI Nameercalcitriol
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
InChIInChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1
InChIKeyZGLHBRQAEXKACO-XJRQOBMKSA-N
Roles Classification
Biological Role:
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)
ercalcitriol (CHEBI:757664) is a vitamin D (CHEBI:27300)
Synonyms  Source
1.alpha.,25-dihydroxyvitamin d2ChEMBL
RO-17-6218ChEMBL