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CHEBI:201535 - Ansamitocin P 3'

ChEBI IDCHEBI:201535
ChEBI NameAnsamitocin P 3'
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FormulaC32H43ClN2O9
Net Charge0
Average Mass635.154
Monoisotopic Mass634.26571
SMILESCCCC(=O)OC1CC(=O)N(C)c2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C
InChIInChI=1S/C32H43ClN2O9/c1-8-10-27(37)43-25-16-26(36)35(5)21-14-20(15-22(40-6)28(21)33)13-18(2)11-9-12-24(41-7)32(39)17-23(42-30(38)34-32)19(3)29-31(25,4)44-29/h9,11-12,14-15,19,23-25,29,39H,8,10,13,16-17H2,1-7H3,(H,34,38)
InChIKeyWLKHTIAFMSHJLG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ansamitocin P 3' (CHEBI:201535) is a azamacrocycle (CHEBI:52898)
Ansamitocin P 3' (CHEBI:201535) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-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] butanoate
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