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

ChEBI IDCHEBI:28818
ChEBI Name(24R)-24,25-dihydroxycalciol
Stars
ASCII Name(24R)-24,25-dihydroxycalciol
Secondary ChEBI IDsCHEBI:9072, CHEBI:19806, CHEBI:47128
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=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
InChIKeyFCKJYANJHNLEEP-XRWYNYHCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(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  Source
SecalciferolKEGG COMPOUND
24(R),25-Dihydroxyvitamin D3KEGG COMPOUND
24R,25-dihydroxyvitamin D3ChEBI
24R,25(OH)2D3ChEBI
24R,25-dihydroxycholecalciferolChEBI
(24R)-24,25-dihydroxyvitamin D3LIPID MAPS
UniProt Name  Source
secalciferolUniProt
Manual XrefsDatabases
C07712KEGG COMPOUND
LMST03020273LIPID MAPS
D00628KEGG DRUG
2426DrugCentral
Registry NumbersSources
Beilstein:4567039Beilstein
CAS:55721-11-4KEGG COMPOUND