Polyoxin J (CHEBI:221149)

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CHEBI:221149 - Polyoxin J

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ChEBI ID	CHEBI:221149
ChEBI Name	Polyoxin J
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Submitter	MetaboLights
Downloads	Molfile

Formula	C17H25N5O12
Net Charge	0
Average Mass	491.410
Monoisotopic Mass	491.14997
SMILES	Cc1cn([C@@H]2O[C@H]([C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(N)=O)C(=O)O)[C@@H](O)[C@H]2O)c(=O)nc1=O
InChI	InChI=1S/C17H25N5O12/c1-4-2-22(17(32)21-12(4)27)14-10(26)9(25)11(34-14)7(15(29)30)20-13(28)6(18)8(24)5(23)3-33-16(19)31/h2,5-11,14,23-26H,3,18H2,1H3,(H2,19,31)(H,20,28)(H,29,30)(H,21,27,32)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1
InChIKey	MUIVXLDDXLZVGN-YVKGXWRCSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (5358618)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Polyoxin J (CHEBI:221149) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetic acid

Manual Xrefs	Databases
9191644	ChemSpider