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CHEBI:200793 - Maytansinol-9-methyl ether-3-3'-methylbutyrate

ChEBI IDCHEBI:200793
ChEBI NameMaytansinol-9-methyl ether-3-3'-methylbutyrate
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FormulaC34H47ClN2O9
Net Charge0
Average Mass663.208
Monoisotopic Mass662.29701
SMILESCOc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)CC(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](OC)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
InChIInChI=1S/C34H47ClN2O9/c1-19(2)13-29(39)45-27-17-28(38)37(6)23-15-22(16-24(41-7)30(23)35)14-20(3)11-10-12-26(42-8)34(43-9)18-25(44-32(40)36-34)21(4)31-33(27,5)46-31/h10-12,15-16,19,21,25-27,31H,13-14,17-18H2,1-9H3,(H,36,40)/b12-10+,20-11+/t21-,25+,26-,27+,31+,33+,34+/m1/s1
InChIKeyKUOYOPPRMATLNZ-AFGUKAAWSA-N
Species of MetaboliteComponentSourceComments
Actinosynnema (ncbitaxon:40566) - PubMed (23061718)
ChEBI Ontology
Outgoing Relation(s)
Maytansinol-9-methyl ether-3-3'-methylbutyrate (CHEBI:200793) is a azamacrocycle (CHEBI:52898)
Maytansinol-9-methyl ether-3-3'-methylbutyrate (CHEBI:200793) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 3-methylbutanoate
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