CHEBI:28818 - (24R)-24,25-dihydroxycalciol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (24R)-24,25-dihydroxycalciol
ChEBI ID CHEBI:28818
ChEBI ASCII Name (24R)-24,25-dihydroxycalciol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:47128, CHEBI:9072, CHEBI:19806
Supplier Information
Download Molfile XML SDF
Formula C27H44O3
Net Charge 0
Average Mass 416.63646
Monoisotopic Mass 416.32905
InChI InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m1/s1
InChIKey FCKJYANJHNLEEP-XRWYNYHCSA-N
SMILES [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@@H](O)C(C)(C)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (24R)-24,25-dihydroxycalciol (CHEBI:28818) has role human metabolite (CHEBI:77746)
(24R)-24,25-dihydroxycalciol (CHEBI:28818) is a hydroxy seco-steroid (CHEBI:36853)
(24R)-24,25-dihydroxycalciol (CHEBI:28818) is a hydroxycalciol (CHEBI:47042)
(24R)-24,25-dihydroxycalciol (CHEBI:28818) is a seco-cholestane (CHEBI:36818)
IUPAC Name
(3S,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-3,24,25-triol
Synonyms Sources
(24R)-24,25-dihydroxycholecalciferol LIPID MAPS
(24R)-24,25-dihydroxyvitamin D3 LIPID MAPS
24(R),25-Dihydroxyvitamin D3 KEGG COMPOUND
24R,25(OH)2D3 ChEBI
24R,25-dihydroxycholecalciferol ChEBI
24R,25-dihydroxyvitamin D3 ChEBI
Secalciferol KEGG COMPOUND
secalciferol UniProt
Manual Xrefs Databases
2426 DrugCentral
C07712 KEGG COMPOUND
D00628 KEGG DRUG
LMST03020273 LIPID MAPS
View more database links
Registry Numbers Types Sources
4567039 Beilstein Registry Number Beilstein
55721-11-4 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017