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CHEBI:216827 - Rhabdopeptide O

ChEBI IDCHEBI:216827
ChEBI NameRhabdopeptide O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H73N7O6
Net Charge0
Average Mass772.089
Monoisotopic Mass771.56223
SMILESCN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)NCCc1ccccc1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C42H73N7O6/c1-24(2)31(43-13)37(50)45-32(25(3)4)41(54)49(16)36(29(11)12)42(55)48(15)35(28(9)10)39(52)46-33(26(5)6)40(53)47(14)34(27(7)8)38(51)44-23-22-30-20-18-17-19-21-30/h17-21,24-29,31-36,43H,22-23H2,1-16H3,(H,44,51)(H,45,50)(H,46,52)/t31-,32-,33-,34-,35-,36-/m0/s1
InChIKeySTTODQHZXYULQB-NGTAMTFRSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (29597344)
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 O (CHEBI:216827) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S)-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-oxobutan-2-yl]butanamide