CHEBI:140177 - cyclosporin A metabolite M26

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ChEBI Name cyclosporin A metabolite M26 ChEBI ID CHEBI:140177 Definition A cyclosporin A derivative that is cyclosporin A in which residue 9 (N-methylleucine) has been hydroxylated at the carbon bearing the two methyl groups and in which residue 1 [(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid] has been hydroxylated at position 8 while the hydroxy group at position 3 has undergone addition to the double bond to give the corresponding oxolane. 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 C62H111N11O14 Net Charge 0 Average Mass 1234.612 Monoisotopic Mass 1233.83120 InChI InChI=1S/C62H111N11O14/c1-24-42-57(81)67(17)32-47(75)68(18)43(27-33(2)3)54(78)66-48(36(8)9)60(84)69(19)44(28-34(4)5)53(77)63-39(13)52(76)64-40(14)56(80)71(21)46(31-62(15,16)86)59(83)70(20)45(29-35(6)7)58(82)72(22)49(37(10)11)61(85)73(23)50(55(79)65-42)51-38(12)30-41(87-51)25-26-74/h33-46,48-51,74,86H,24-32H2,1-23H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/t38-,39+,40-,41?,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1 InChIKey JAMYKWXSCJFSSX-OKJSGIQHSA-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(O)(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 blood (UBERON:0000178). 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 M26 (CHEBI:140177) has functional parent cyclosporin A metabolite M8 (CHEBI:140158) cyclosporin A metabolite M26 (CHEBI:140177) has role drug metabolite (CHEBI:49103) cyclosporin A metabolite M26 (CHEBI:140177) is a cyclosporin A derivative (CHEBI:140151) cyclosporin A metabolite M26 (CHEBI:140177) is a oxolanes (CHEBI:26912) cyclosporin A metabolite M26 (CHEBI:140177) is a tertiary alcohol (CHEBI:26878) IUPAC Name (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(2R,3R)-5-(2-hydroxyethyl)-3-methyltetrahydrofuran-2-yl]-9-(2-hydroxy-2-methylpropyl)-6,18,24-triisobutyl-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 AM1c9 ChEBI cyclosporin A metabolite AM1c9 ChEBI cyclosporin metabolite AM1c9 ChEBI cyclosporin metabolite M26 ChEBI cyclosporine A metabolite AM1c9 ChEBI cyclosporine A metabolite M26 ChEBI cyclosporine metabolite AM1c9 ChEBI cyclosporine metabolite M26 ChEBI M26 ChEBI Citations Types Sources 1834063 PubMed citation Europe PMC 1895678 PubMed citation Europe PMC 1971578 PubMed citation Europe PMC 2297901 PubMed citation Europe PMC 2642763 PubMed citation Europe PMC 3665039 PubMed citation Europe PMC Last Modified 18 February 2018