NA22598 A (CHEBI:219453)

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CHEBI:219453 - NA22598 A

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ChEBI ID	CHEBI:219453
ChEBI Name	NA22598 A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H38N8O7
Net Charge	0
Average Mass	502.573
Monoisotopic Mass	502.28635
SMILES	CC(NC(=O)C(N)C(N)CCC(O)C(O)CC1CN=C(N)N1C(N)=O)C(=O)NC(C(=O)O)C(C)C
InChI	InChI=1S/C20H38N8O7/c1-8(2)15(18(33)34)27-16(31)9(3)26-17(32)14(22)11(21)4-5-12(29)13(30)6-10-7-25-19(23)28(10)20(24)35/h8-15,29-30H,4-7,21-22H2,1-3H3,(H2,23,25)(H2,24,35)(H,26,32)(H,27,31)(H,33,34)
InChIKey	QECMEVPAUWBQHW-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (9315090)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	NA22598 A (CHEBI:219453) is a oligopeptide (CHEBI:25676)

IUPAC Name
2-[2-[[2,3-diamino-8-(2-amino-3-carbamoyl-4,5-dihydroimidazol-4-yl)-6,7-dihydroxyoctanoyl]amino]propanoylamino]-3-methylbutanoic acid

Manual Xrefs	Databases
78444324	ChemSpider