Vanoxonin (CHEBI:223023)

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CHEBI:223023 - Vanoxonin

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ChEBI ID	CHEBI:223023
ChEBI Name	Vanoxonin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H25N3O9
Net Charge	0
Average Mass	427.410
Monoisotopic Mass	427.15908
SMILES	CC(=O)N(O)CCC[C@H](NC(=O)[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](C)O)C(=O)O
InChI	InChI=1S/C18H25N3O9/c1-9(22)14(20-16(26)11-5-3-7-13(24)15(11)25)17(27)19-12(18(28)29)6-4-8-21(30)10(2)23/h3,5,7,9,12,14,22,24-25,30H,4,6,8H2,1-2H3,(H,19,27)(H,20,26)(H,28,29)/t9-,12+,14+/m1/s1
InChIKey	KCWDMHXDGAWLOA-LQJRIPTKSA-N

Species of Metabolite	Component	Source	Comments
Saccharopolyspora (ncbitaxon:1835)	-	PubMed (6874588)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Vanoxonin (CHEBI:223023) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S,3R)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxybutanoyl]amino]pentanoic acid

Manual Xrefs	Databases
143444	ChemSpider