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CHEBI:138857 - N-Demethylansamitocin P-3

ChEBI IDCHEBI:138857
ChEBI NameN-Demethylansamitocin P-3
Stars
ASCII NameN-Demethylansamitocin P-3
Last Modified26 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC31H41ClN2O9
Net Charge0
Average Mass621.127
Monoisotopic Mass620.25006
SMILES[H][C@@]12O[C@@]1(C)[C@@H](OC(=O)C(C)C)CC(=O)Nc1cc(cc(OC)c1Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]1(O)C[C@]([H])(OC(=O)N1)[C@H]2C
InChIInChI=1S/C31H41ClN2O9/c1-16(2)28(36)42-24-14-25(35)33-20-12-19(13-21(39-6)26(20)32)11-17(3)9-8-10-23(40-7)31(38)15-22(41-29(37)34-31)18(4)27-30(24,5)43-27/h8-10,12-13,16,18,22-24,27,38H,11,14-15H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,17-9+/t18-,22+,23-,24+,27+,30+,31+/m1/s1
InChIKeyBOYNDXJJKZMFBK-PRWXLFGZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Demethylansamitocin P-3 (CHEBI:138857) is a azamacrocycle (CHEBI:52898)
N-Demethylansamitocin P-3 (CHEBI:138857) is a keratan 6'-sulfate (CHEBI:18331)
Synonyms  Source
N-Demethyl-AP-3KEGG COMPOUND
PND-3KEGG COMPOUND
Manual XrefsDatabases
C20138KEGG COMPOUND