CHEBI:140175 - cyclosporin A metabolite M18

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ChEBI Name cyclosporin A metabolite M18 ChEBI ID CHEBI:140175 Definition A cyclosporin A derivative that is cyclosporin A metabolite M17 in which the hydroxy group at position 3 of residue 1 [(2S,3R,4R,6E)-3,8-dihydroxy-4-methyl-2-(methylamino)oct-6-enamide] has undergone addition to the double bond at position 6 to afford the corresponding dioxolane ring. Stars This entity has been manually annotated by the ChEBI Team. 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 C62H111N11O13 Net Charge 0 Average Mass 1218.613 Monoisotopic Mass 1217.83628 InChI InChI=1S/C62H111N11O13/c1-24-43-58(81)67(17)32-48(75)68(18)44(27-33(2)3)55(78)66-49(37(10)11)61(84)69(19)45(28-34(4)5)54(77)63-40(15)53(76)64-41(16)57(80)70(20)46(29-35(6)7)59(82)71(21)47(30-36(8)9)60(83)72(22)50(38(12)13)62(85)73(23)51(56(79)65-43)52-39(14)31-42(86-52)25-26-74/h33-47,49-52,74H,24-32H2,1-23H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/t39-,40+,41-,42?,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 InChIKey OPQZHVFVHOLQNE-JFGKHBSWSA-N SMILES [C@H]1(N(C([C@@H](N(C([C@@H](N(C)C([C@@H](N(C([C@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC([C@@H](N(C)C(CN(C([C@@H](NC1=O)CC)=O)C)=O)CC(C)C)=O)C(C)C)=O)C)CC(C)C)=O)C)=O)C)=O)C)CC(C)C)=O)CC(C)C)=O)C)C(C)C)=O)C)[C@]2([C@H](C)CC(O2)(CCO)[H])[H] Metabolite of Species Details Homo sapiens (NCBI:txid960) Found in liver (BTO:0000759). See: PubMed Homo sapiens (NCBI:txid960) Found in bile (UBERON:0001970). See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): drug metabolite View more via ChEBI Ontology ChEBI Ontology Outgoing cyclosporin A metabolite M18 (CHEBI:140175) has functional parent cyclosporin A metabolite M17 (CHEBI:140154) cyclosporin A metabolite M18 (CHEBI:140175) has role drug metabolite (CHEBI:49103) cyclosporin A metabolite M18 (CHEBI:140175) is a cyclosporin A derivative (CHEBI:140151) cyclosporin A metabolite M18 (CHEBI:140175) is a oxolanes (CHEBI:26912) Incoming cyclosporin A metabolite M1cAL (CHEBI:140176) has functional parent cyclosporin A metabolite M18 (CHEBI:140175) IUPAC Name (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(2R,3R)-5-(2-hydroxyethyl)-3-methyltetrahydrofuran-2-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Synonyms Sources AM1c ChEBI cyclosporin A metabolite AM1c ChEBI cyclosporin metabolite AM1c ChEBI cyclosporin metabolite M18 ChEBI cyclosporine A metabolite AM1c ChEBI cyclosporine A metabolite M18 ChEBI cyclosporine metabolite AM1c ChEBI cyclosporine metabolite M18 ChEBI M18 ChEBI Citations Types Sources 1362930 PubMed citation Europe PMC 17301005 PubMed citation Europe PMC 1834063 PubMed citation Europe PMC 1895678 PubMed citation Europe PMC 1943052 PubMed citation Europe PMC 1971578 PubMed citation Europe PMC 2060135 PubMed citation Europe PMC 22210099 PubMed citation Europe PMC 2297901 PubMed citation Europe PMC 2950629 PubMed citation Europe PMC 2966788 PubMed citation Europe PMC 3311467 PubMed citation Europe PMC 3538573 PubMed citation Europe PMC 7624874 PubMed citation Europe PMC 8400080 PubMed citation Europe PMC 8894806 PubMed citation Europe PMC 8971957 PubMed citation Europe PMC Last Modified 17 February 2018