GameXPeptide J (CHEBI:219116)

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CHEBI:219116 - GameXPeptide J

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ChEBI ID	CHEBI:219116
ChEBI Name	GameXPeptide J
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H58N6O5
Net Charge	0
Average Mass	642.886
Monoisotopic Mass	642.44687
SMILES	CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(N(C)C)cc2)NC1=O
InChI	InChI=1S/C35H58N6O5/c1-20(2)15-26-31(42)36-27(16-21(3)4)32(43)38-29(18-23(7)8)34(45)40-30(19-24-11-13-25(14-12-24)41(9)10)35(46)39-28(17-22(5)6)33(44)37-26/h11-14,20-23,26-30H,15-19H2,1-10H3,(H,36,42)(H,37,44)(H,38,43)(H,39,46)(H,40,45)/t26-,27+,28+,29-,30+/m0/s1
InChIKey	NITVKCLCRNBUBH-NAGJOQLLSA-N

Species of Metabolite	Component	Source	Comments
Photorhabdus (ncbitaxon:29487)	-	PubMed (25425189)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	GameXPeptide J (CHEBI:219116) is a cyclic peptide (CHEBI:23449)

IUPAC Name
(3R,6S,9R,12S,15R)-3-[[4-(dimethylamino)phenyl]methyl]-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone

Manual Xrefs	Databases
78440514	ChemSpider