Rhodobactin (CHEBI:218937)

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CHEBI:218937 - Rhodobactin

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ChEBI ID	CHEBI:218937
ChEBI Name	Rhodobactin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H50N10O13
Net Charge	0
Average Mass	830.853
Monoisotopic Mass	830.35588
SMILES	NC(=O)NCCCC(NC(=O)C(CCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O)C(=O)NC(CCCNC(N)=O)C(=O)NC1CCCN(O)C1=O
InChI	InChI=1S/C36H50N10O13/c37-35(57)40-16-4-10-22(32(54)44-23(11-5-17-41-36(38)58)33(55)45-24-12-6-18-46(59)34(24)56)43-31(53)21(42-30(52)20-8-2-14-26(48)28(20)50)9-3-15-39-29(51)19-7-1-13-25(47)27(19)49/h1-2,7-8,13-14,21-24,47-50,59H,3-6,9-12,15-18H2,(H,39,51)(H,42,52)(H,43,53)(H,44,54)(H,45,55)(H3,37,40,57)(H3,38,41,58)
InChIKey	QEKUWQJZGMGDSX-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Rhodococcus rhodochrous (ncbitaxon:1829)	-	PubMed (17273817)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Rhodobactin (CHEBI:218937) is a oligopeptide (CHEBI:25676)

IUPAC Name
N-[5-[[5-(carbamoylamino)-1-[[5-(carbamoylamino)-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-[(2,3-dihydroxybenzoyl)amino]-5-oxopentyl]-2,3-dihydroxybenzamide

Manual Xrefs	Databases
78443692	ChemSpider