CHEBI:66178 - sch 213766

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ChEBI Name sch 213766 ChEBI ID CHEBI:66178 Definition A pyrrolidinone derivative that is the methyl ester of sch 210972. Isolated from fungal fermentation broth of Chaetomium globosum, it exhibits inhibitory activity against chemokine receptor CCR-5. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:68711 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 C26H37NO6 Net Charge 0 Average Mass 459.57510 Monoisotopic Mass 459.26209 InChI InChI=1S/C26H37NO6/c1-7-14(3)17-9-8-16-11-13(2)10-15(4)19(16)20(17)23(29)21-22(28)18(27-24(21)30)12-26(5,32)25(31)33-6/h7-9,13,15-20,29,32H,10-12H2,1-6H3,(H,27,30)/b14-7+,23-21-/t13-,15+,16-,17+,18-,19-,20-,26-/m1/s1 InChIKey ITWQKCOXYYEWRZ-VOHDXAEZSA-N SMILES COC(=O)[C@](C)(O)C[C@H]1NC(=O)\C(=C(/O)[C@@H]2[C@@H](C=C[C@@H]3C[C@H](C)C[C@H](C)[C@@H]23)C(\C)=C\C)C1=O Metabolite of Species Details Chaetomium globosum (NCBI:txid38033) See: PubMed Chaetomium globosum (NCBI:txid38033) See: PubMed Roles Classification Biological Role(s): Chaetomium metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium. chemokine receptor 5 antagonist An antogonist that blocks chemokine receptor 5 (CCR5). View more via ChEBI Ontology ChEBI Ontology Outgoing sch 213766 (CHEBI:66178) has functional parent sch 210972 (CHEBI:68749) sch 213766 (CHEBI:66178) has role Chaetomium metabolite (CHEBI:76960) sch 213766 (CHEBI:66178) has role chemokine receptor 5 antagonist (CHEBI:63673) sch 213766 (CHEBI:66178) is a carbobicyclic compound (CHEBI:36785) sch 213766 (CHEBI:66178) is a carboxylic ester (CHEBI:33308) sch 213766 (CHEBI:66178) is a enol (CHEBI:33823) sch 213766 (CHEBI:66178) is a octahydronaphthalenes (CHEBI:138397) sch 213766 (CHEBI:66178) is a pyrrolidin-2-ones (CHEBI:74223) sch 213766 (CHEBI:66178) is a tertiary alcohol (CHEBI:26878) IUPAC Name methyl (2R)-3-{(2R,4Z)-4-[{(1S,2R,4aR,6R,8S,8aR)-2-[(2E)-but-2-en-2-yl]-6,8-dimethyldecahydronaphthalen-1-yl}(hydroxy)methylidene]-3,5-dioxopyrrolidin-2-yl}-2-hydroxy-2-methylpropanoate Citation Type Source 17827664 PubMed citation Europe PMC Last Modified 07 September 2017