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CHEBI:47818 - (1S)-1,23-dihydroxy-24,25,26,27-tetranorcalciol

ChEBI IDCHEBI:47818
ChEBI Name(1S)-1,23-dihydroxy-24,25,26,27-tetranorcalciol
Stars
ASCII Name(1S)-1,23-dihydroxy-24,25,26,27-tetranorcalciol
Last Modified3 June 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H36O3
Net Charge0
Average Mass360.538
Monoisotopic Mass360.26645
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCO)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C23H36O3/c1-15(10-12-24)20-8-9-21-17(5-4-11-23(20,21)3)6-7-18-13-19(25)14-22(26)16(18)2/h6-7,15,19-22,24-26H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15-,19-,20-,21+,22+,23-/m1/s1
InChIKeyQKSLGXKBRJBRQD-NKLFQLIUSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S)-1,23-dihydroxy-24,25,26,27-tetranorcalciol (CHEBI:47818) is a hydroxycalciol (CHEBI:47042)
(1S)-1,23-dihydroxy-24,25,26,27-tetranorcalciol (CHEBI:47818) is a oxocalciol (CHEBI:47806)
IUPAC Name 
(1S,3R,5Z,7E)-24-nor-9,10-secochola-5,7,10(19)-triene-1,3,23-triol
Synonyms  Source
tetranor 1α,23(OH)2D3ChEBI
24,25,26,27-tetranor-1α,23-dihydroxyvitamin D3ChEBI
24,25,26,27-tetranor-1,23(OH)2D3ChEBI
1α,23-dihydroxy-24,25,26,27-tetranorvitamin D3ChEBI
1,23-Dihydroxy-24,25,26,27-tetranorvitamin D3ChemIDplus
1,23-Dtnv-D3ChemIDplus
UniProt Name  Source
(1S)-1,23-dihydroxy-24,25,26,27-tetranorcalciolUniProt
Manual XrefsDatabases
LMST03020020LIPID MAPS
Registry NumbersSources
Beilstein:5827948Beilstein
CAS:97903-37-2ChemIDplus