CHEBI:138857 - N-Demethylansamitocin P-3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-Demethylansamitocin P-3
ChEBI ID CHEBI:138857
ChEBI ASCII Name N-Demethylansamitocin P-3
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H41ClN2O9
Net Charge 0
Average Mass 621.119
Monoisotopic Mass 620.25006
InChI InChI=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
InChIKey BOYNDXJJKZMFBK-PRWXLFGZSA-N
SMILES C1(=CC2=CC(=C1Cl)NC(C[C@@H]([C@]3([C@]([C@@H]([C@@]4(C[C@]([C@@H](C=CC=C(C2)C)OC)(NC(O4)=O)O)[H])C)(O3)[H])C)OC(C(C)C)=O)=O)OC
ChEBI Ontology
Outgoing 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 Sources
N-Demethyl-AP-3 KEGG COMPOUND
PND-3 KEGG COMPOUND
Manual Xref Database
C20138 KEGG COMPOUND
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Last Modified
26 October 2017