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CHEBI:219372 - Rhabdopeptide 6

ChEBI IDCHEBI:219372
ChEBI NameRhabdopeptide 6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H79N7O6
Net Charge0
Average Mass814.170
Monoisotopic Mass813.60918
SMILESCN[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N(C)[C@@H](C(=O)N(C)[C@@H](C(=O)N(C)[C@@H](C(=O)NCCc1ccccc1)C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C45H79N7O6/c1-27(2)25-34(46-13)42(55)49(14)35(26-28(3)4)40(53)48-36(29(5)6)43(56)51(16)38(31(9)10)45(58)52(17)39(32(11)12)44(57)50(15)37(30(7)8)41(54)47-24-23-33-21-19-18-20-22-33/h18-22,27-32,34-39,46H,23-26H2,1-17H3,(H,47,54)(H,48,53)/t34-,35+,36+,37+,38+,39+/m0/s1
InChIKeyONGYRPBNULHNPU-XGCGZVRNSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus nematophila (ncbitaxon:628) - PubMed (24038745)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rhabdopeptide 6 (CHEBI:219372) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-4-methyl-1-[[(2R)-3-methyl-1-[methyl-[(2R)-3-methyl-1-[methyl-[(2R)-3-methyl-1-[methyl-[(2R)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
Manual XrefsDatabases
78442830ChemSpider