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CHEBI:138882 - N-Demethyl-desepoxyansamitocin P-3

ChEBI IDCHEBI:138882
ChEBI NameN-Demethyl-desepoxyansamitocin P-3
Stars
ASCII NameN-Demethyl-desepoxyansamitocin P-3
Last Modified27 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC31H41ClN2O8
Net Charge0
Average Mass605.128
Monoisotopic Mass604.25514
SMILES[H][C@@]12C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)Cc1cc(c(Cl)c(OC)c1)NC(=O)C[C@H](OC(=O)C(C)C)/C(C)=C/[C@@H]2C
InChIInChI=1S/C31H41ClN2O8/c1-17(2)29(36)41-23-15-27(35)33-22-13-21(14-24(39-6)28(22)32)11-18(3)9-8-10-26(40-7)31(38)16-25(42-30(37)34-31)20(5)12-19(23)4/h8-10,12-14,17,20,23,25-26,38H,11,15-16H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,18-9+,19-12+/t20-,23-,25-,26+,31-/m0/s1
InChIKeyDLTOOYADBZDSAS-OBOKIMRTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Demethyl-desepoxyansamitocin P-3 (CHEBI:138882) is a azamacrocycle (CHEBI:52898)
N-Demethyl-desepoxyansamitocin P-3 (CHEBI:138882) is a keratan 6'-sulfate (CHEBI:18331)
Manual XrefsDatabases
C20137KEGG COMPOUND