Ornibactin C4 (CHEBI:205296)

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CHEBI:205296 - Ornibactin C4

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ChEBI ID	CHEBI:205296
ChEBI Name	Ornibactin C4
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H48N8O13
Net Charge	0
Average Mass	680.713
Monoisotopic Mass	680.33408
SMILES	CC(O)CC(=O)N(O)CCCC(N)C(=O)NC(C(=O)NC(CO)C(=O)NC(CCCN(O)C=O)C(=O)NCCCCN)C(O)C(=O)O
InChI	InChI=1S/C26H48N8O13/c1-15(37)12-19(38)34(47)11-4-6-16(28)22(40)32-20(21(39)26(44)45)25(43)31-18(13-35)24(42)30-17(7-5-10-33(46)14-36)23(41)29-9-3-2-8-27/h14-18,20-21,35,37,39,46-47H,2-13,27-28H2,1H3,(H,29,41)(H,30,42)(H,31,43)(H,32,40)(H,44,45)
InChIKey	CODGHFHXEFKOMN-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Pseudomonas (ncbitaxon:286)	-	PubMed (25855820)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Ornibactin C4 (CHEBI:205296) is a oligopeptide (CHEBI:25676)

IUPAC Name
4-[[1-[[1-(4-aminobutylamino)-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-amino-5-[hydroxy(3-hydroxybutanoyl)amino]pentanoyl]amino]-2-hydroxy-4-oxobutanoic acid

Manual Xrefs	Databases
78444809	ChemSpider