Azoxymycin B (CHEBI:218845)

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CHEBI:218845 - Azoxymycin B

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ChEBI ID	CHEBI:218845
ChEBI Name	Azoxymycin B
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Submitter	MetaboLights
Downloads	Molfile

Formula	C27H26N4O7
Net Charge	0
Average Mass	518.526
Monoisotopic Mass	518.18015
SMILES	NC(=O)CC[C@H](NC(=O)/C=C/C=C/c1ccc([N+]([O-])=Nc2ccc(/C=C/C=C/C(=O)O)cc2)cc1)C(=O)O
InChI	InChI=1S/C27H26N4O7/c28-24(32)18-17-23(27(36)37)29-25(33)7-3-1-5-20-11-15-22(16-12-20)31(38)30-21-13-9-19(10-14-21)6-2-4-8-26(34)35/h1-16,23H,17-18H2,(H2,28,32)(H,29,33)(H,34,35)(H,36,37)/b5-1+,6-2+,7-3+,8-4+,31-30?/t23-/m0/s1
InChIKey	YUKFJTPWSMXPSM-PVRBKGJMSA-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 B (CHEBI:218845) 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)-4-carboxybuta-1,3-dienyl]phenyl]imino-oxidoazanium

Manual Xrefs	Databases
78435760	ChemSpider