CHEBI:94569 - calcium (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name calcium (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate
ChEBI ID CHEBI:94569
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C50H46CaF2N2O8
Net Charge 0
Average Mass 880.986
Monoisotopic Mass 880.28481
InChI InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/t2*18-,19-;/m11./s1
InChIKey RHGYHLPFVJEAOC-ZGSPBYFDSA-L
SMILES C1CC1C2=NC3=CC=CC=C3C(=C2C=C[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=C[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]
ChEBI Ontology
Outgoing calcium (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate (CHEBI:94569) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-5439 LINCS
View more database links