CHEBI:140167 - cyclosporin A metabolite M10

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ChEBI Name cyclosporin A metabolite M10 ChEBI ID CHEBI:140167 Definition A cyclosporin A derivative that is cyclosporin A in which residues 4 and 9 (both N-methylleucine) have undergone oxidation so as to introduce a hydroxy group at position 4 (the carbon bearing the two methyl groups) in each case. 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/c1-25-27-28-38(11)50(75)49-54(79)65-41(26-2)56(81)67(18)33-46(74)68(19)44(31-61(14,15)86)53(78)66-47(36(7)8)59(84)69(20)42(29-34(3)4)52(77)63-39(12)51(76)64-40(13)55(80)71(22)45(32-62(16,17)87)58(83)70(21)43(30-35(5)6)57(82)72(23)48(37(9)10)60(85)73(49)24/h25,27,34-45,47-50,75,86-87H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t38-,39+,40-,41+,42+,43+,44+,45+,47+,48+,49+,50-/m1/s1 InChIKey FHFDDWFOTNDTNQ-LBKIHLNRSA-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(O)(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@@H]([C@@H](C/C=C/C)C)O 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 M10 (CHEBI:140167) has functional parent cyclosporin A metabolite M1 (CHEBI:140152) cyclosporin A metabolite M10 (CHEBI:140167) has role drug metabolite (CHEBI:49103) cyclosporin A metabolite M10 (CHEBI:140167) is a cyclosporin A derivative (CHEBI:140151) cyclosporin A metabolite M10 (CHEBI:140167) is a tertiary alcohol (CHEBI:26878) IUPAC Name (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-9,24-bis(2-hydroxy-2-methylpropyl)-6,18-diisobutyl-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 AM49 ChEBI cyclosporin A metabolite AM49 ChEBI cyclosporin metabolite AM49 ChEBI cyclosporin metabolite M10 ChEBI cyclosporine A metabolite AM49 ChEBI cyclosporine A metabolite M10 ChEBI cyclosporine metabolite AM49 ChEBI cyclosporine metabolite M10 ChEBI M10 ChEBI Citations Types Sources 2642763 PubMed citation Europe PMC 9263386 PubMed citation Europe PMC Last Modified 16 February 2018