Rhabdopeptide 8 (CHEBI:219384)

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CHEBI:219384 - Rhabdopeptide 8

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ChEBI ID	CHEBI:219384
ChEBI Name	Rhabdopeptide 8
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H54N6O4
Net Charge	0
Average Mass	598.833
Monoisotopic Mass	598.42065
SMILES	CN[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N(C)[C@@H](C(=O)NCCc1cnc2ccccc12)C(C)C)C(C)C)C(C)C
InChI	InChI=1S/C33H54N6O4/c1-19(2)17-26(37-31(41)27(34-9)20(3)4)30(40)38-28(21(5)6)33(43)39(10)29(22(7)8)32(42)35-16-15-23-18-36-25-14-12-11-13-24(23)25/h11-14,18-22,26-29,34,36H,15-17H2,1-10H3,(H,35,42)(H,37,41)(H,38,40)/t26-,27+,28-,29-/m1/s1
InChIKey	QSUBRRUYBLMEBB-VJLHXPKFSA-N

Species of Metabolite	Component	Source	Comments
Xenorhabdus cabanillasii (ncbitaxon:351673)	-	PubMed (24038745)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Rhabdopeptide 8 (CHEBI:219384) is a peptide (CHEBI:16670)

IUPAC Name
(2R)-N-[(2R)-1-[[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]pentanamide

Manual Xrefs	Databases
78442832	ChemSpider