Konbamide (CHEBI:220333)

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CHEBI:220333 - Konbamide

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ChEBI ID	CHEBI:220333
ChEBI Name	Konbamide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H61BrN8O9
Net Charge	0
Average Mass	877.879
Monoisotopic Mass	876.37449
SMILES	CC(C)C[C@H](NC(=O)N[C@H]1CCCCNC(=O)C(Cc2c(Br)nc3ccc(O)cc23)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)C(=O)O
InChI	InChI=1S/C40H61BrN8O9/c1-20(2)15-30-38(55)49(8)32(17-22(5)6)37(54)45-29(19-26-25-18-24(50)12-13-27(25)44-33(26)41)35(52)42-14-10-9-11-28(36(53)43-23(7)34(51)46-30)47-40(58)48-31(39(56)57)16-21(3)4/h12-13,18,20-23,28-32,44,50H,9-11,14-17,19H2,1-8H3,(H,42,52)(H,43,53)(H,45,54)(H,46,51)(H,56,57)(H2,47,48,58)/t23-,28-,29?,30-,31-,32-/m0/s1
InChIKey	NFNPOETXDOOFIQ-CIMYTASASA-N

Species of Metabolite	Component	Source	Comments
Candidatus Entotheonella factor (ncbitaxon:1429438)	-	PubMed (24476823)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Konbamide (CHEBI:220333) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2S)-2-[[(6S,9S,12S,15S)-3-[(2-bromo-5-hydroxy-1H-indol-3-yl)methyl]-7,12-dimethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-4-methylpentanoic acid

Manual Xrefs	Databases
8163810	ChemSpider