CHEBI:140176 - cyclosporin A metabolite M1c_AL

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ChEBI Name cyclosporin A metabolite M1cAL ChEBI ID CHEBI:140176 ChEBI ASCII Name cyclosporin A metabolite M1cAL Definition A cyclosporin A derivative that is cyclosporin A metabolite M18 in which the 2-hydroxyethyl substituent of the dioxolane ring has been oxidised to give the corresponding aldehyde. 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 C62H109N11O13 Net Charge 0 Average Mass 1216.597 Monoisotopic Mass 1215.82063 InChI InChI=1S/C62H109N11O13/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/h26,33-47,49-52H,24-25,27-32H2,1-23H3,(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 UFWMVNJLCHMUKS-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)(CC=O)[H])[H] 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 M1cAL (CHEBI:140176) has functional parent cyclosporin A metabolite M18 (CHEBI:140175) cyclosporin A metabolite M1cAL (CHEBI:140176) has role drug metabolite (CHEBI:49103) cyclosporin A metabolite M1cAL (CHEBI:140176) is a aldehyde (CHEBI:17478) cyclosporin A metabolite M1cAL (CHEBI:140176) is a cyclosporin A derivative (CHEBI:140151) cyclosporin A metabolite M1cAL (CHEBI:140176) is a oxolanes (CHEBI:26912) IUPAC Name {(4R,5R)-5-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-4-methyltetrahydrofuran-2-yl}acetaldehyde Synonyms Sources AM1cAL ChEBI cyclosporin A metabolite AM1cAL ChEBI cyclosporin metabolite AM1cAL ChEBI cyclosporin metabolite M1cAL ChEBI cyclosporine A metabolite AM1cAL ChEBI cyclosporine A metabolite M1cAL ChEBI cyclosporine metabolite AM1cAL ChEBI cyclosporine metabolite M1cAL ChEBI M1cAL ChEBI Citations Types Sources 8745344 PubMed citation Europe PMC 8782089 PubMed citation Europe PMC Last Modified 17 February 2018