Neopolyoxin A (CHEBI:203581)

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CHEBI:203581 - Neopolyoxin A

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ChEBI ID	CHEBI:203581
ChEBI Name	Neopolyoxin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H25N5O10
Net Charge	0
Average Mass	495.445
Monoisotopic Mass	495.16014
SMILES	C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2cc(C=O)nc2=O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(O)cn1
InChI	InChI=1S/C20H25N5O10/c1-7(13(28)10-3-2-9(27)4-22-10)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-8(6-26)23-20(25)34/h2-7,11-16,18,27-30H,21H2,1H3,(H,23,34)(H,24,31)(H,32,33)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1
InChIKey	AYXHZRVSIUJLAE-VHDFTHOZSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces asoensis (ncbitaxon:249586)	-	DOI (10.1271/bbb1961.44.1709)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Neopolyoxin A (CHEBI:203581) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2R,3S,4R,5R)-5-(5-ormyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

Manual Xrefs	Databases
19970328	ChemSpider