CHEBI:139027 - AMCR277B

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ChEBI Name AMCR277B ChEBI ID CHEBI:139027 Definition A hydroxycalciol that is calcitriol which has undergone formal oxidative coupling at positions 20 and 23 to the hydroxy group and methyl group, respectively, of methanol to afford the corresponding oxolane ring (the 20S,23R stereoisomer). It is less calcemic towards the vitamin D nuclear receptor than 1α,25-dihydroxyvitamin D3 in vivo. Stars This entity has been manually annotated by the ChEBI Team. Submitter Ceri Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H44O4 Net Charge 0 Average Mass 444.648 Monoisotopic Mass 444.32396 InChI InChI=1S/C28H44O4/c1-18-21(13-22(29)14-24(18)30)9-8-20-7-6-12-27(4)23(20)10-11-25(27)28(5)16-19(17-32-28)15-26(2,3)31/h8-9,19,22-25,29-31H,1,6-7,10-17H2,2-5H3/b20-8+,21-9-/t19-,22-,23+,24+,25+,27+,28+/m1/s1 InChIKey QFEREDUWILIRPI-FOPXFMLJSA-N SMILES C\1([C@H](C[C@@H](C/C1=C/C=C/2\CCC[C@]3([C@]2(CC[C@@]3([C@]4(C)C[C@H](CO4)CC(O)(C)C)[H])[H])C)O)O)=C ChEBI Ontology Outgoing AMCR277B (CHEBI:139027) has functional parent calcitriol (CHEBI:17823) AMCR277B (CHEBI:139027) is a hydroxycalciol (CHEBI:47042) AMCR277B (CHEBI:139027) is a oxolanes (CHEBI:26912) IUPAC Name (1S,3R,5Z,7Z,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol Manual Xref Database EP1777220 Patent View more database links Registry Number Type Source 12859120 Reaxys Registry Number Reaxys Citation Type Source 18420145 PubMed citation Europe PMC Last Modified 16 November 2017