Azoxymycin A (CHEBI:218840)

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CHEBI:218840 - Azoxymycin A

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ChEBI ID	CHEBI:218840
ChEBI Name	Azoxymycin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H34N6O9
Net Charge	0
Average Mass	646.657
Monoisotopic Mass	646.23873
SMILES	NC(=O)CCC(NC(=O)/C=C/C=C/c1ccc(N=[N+]([O-])c2ccc(/C=C/C=C/C(=O)NC(CCC(N)=O)C(=O)O)cc2)cc1)C(=O)O
InChI	InChI=1S/C32H34N6O9/c33-27(39)19-17-25(31(43)44)35-29(41)7-3-1-5-21-9-13-23(14-10-21)37-38(47)24-15-11-22(12-16-24)6-2-4-8-30(42)36-26(32(45)46)18-20-28(34)40/h1-16,25-26H,17-20H2,(H2,33,39)(H2,34,40)(H,35,41)(H,36,42)(H,43,44)(H,45,46)/b5-1+,6-2+,7-3+,8-4+,38-37?
InChIKey	WSIYCVSSMDOSIR-WZOFXVQXSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (26623715)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Azoxymycin A (CHEBI:218840) is a tertiary amine (CHEBI:32876)

IUPAC Name
[4-[(1E,3E)-5-[(4-amino-1-carboxy-4-oxobutyl)amino]-5-oxopenta-1,3-dienyl]phenyl]-[4-[(1E,3E)-5-[(4-amino-1-carboxy-4-oxobutyl)amino]-5-oxopenta-1,3-dienyl]phenyl]imino-oxidoazanium

Manual Xrefs	Databases
78435759	ChemSpider