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CHEBI:219110 - GameXPeptide I

Default Structure
ChEBI IDCHEBI:219110
ChEBI NameGameXPeptide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56N6O5
Net Charge0
Average Mass628.859
Monoisotopic Mass628.43122
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(N(C)C)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C34H56N6O5/c1-19(2)15-25-30(41)36-27(17-21(5)6)33(44)39-29(22(7)8)34(45)38-26(16-20(3)4)31(42)37-28(32(43)35-25)18-23-11-13-24(14-12-23)40(9)10/h11-14,19-22,25-29H,15-18H2,1-10H3,(H,35,43)(H,36,41)(H,37,42)(H,38,45)(H,39,44)/t25-,26+,27+,28-,29-/m1/s1
InChIKeyNEINRBUPCHIHFL-JYJZCUDQSA-N
Species of MetaboliteComponentSourceComments
Photorhabdus (ncbitaxon:29487) - PubMed (25425189)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
GameXPeptide I (CHEBI:219110) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3R,6S,9R,12S,15R)-3-[[4-(dimethylamino)phenyl]methyl]-6,12,15-tris(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
Manual XrefsDatabases
78440513ChemSpider