CHEBI:47214 - (23S)-23,25-dihydroxycalciol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (23S)-23,25-dihydroxycalciol
ChEBI ID CHEBI:47214
ChEBI ASCII Name (23S)-23,25-dihydroxycalciol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O3
Net Charge 0
Average Mass 416.63646
Monoisotopic Mass 416.32905
InChI InChI=1S/C27H44O3/c1-18-8-11-22(28)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22+,23+,24-,25+,27-/m1/s1
InChIKey JVBPQHSRTHJMLM-WTHMTOCBSA-N
SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)C[C@H](O)CC(C)(C)O
ChEBI Ontology
Outgoing (23S)-23,25-dihydroxycalciol (CHEBI:47214) is a hydroxycalciol (CHEBI:47042)
IUPAC Name
(3S,5Z,7E,23S)-9,10-secocholesta-5,7,10-triene-3,23,25-triol
Synonyms Sources
(23S)-23,25-dihydroxycalciol UniProt
(23S)-23,25-dihydroxycholecalciferol LIPID MAPS
(23S)-23,25-dihydroxyvitamin D3 LIPID MAPS
23S,25(OH)2D3 ChEBI
23S,25-dihydroxycholecalciferol ChEBI
23S,25-dihydroxyvitamin D3 ChEBI
Manual Xref Database
LMST03020272 LIPID MAPS
View more database links
Registry Number Type Source
6772199 Beilstein Registry Number Beilstein
Last Modified
28 September 2016