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CHEBI:227241 - Kurahyne B

ChEBI IDCHEBI:227241
ChEBI NameKurahyne B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H76N6O7
Net Charge0
Average Mass825.149
Monoisotopic Mass824.57755
SMILESC#CCCC/C=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)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CC)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC
InChIInChI=1S/C46H76N6O7/c1-15-19-20-21-24-33(11)41(54)47-37(31(9)16-2)43(56)50(14)40(32(10)17-3)45(58)48(12)38(29(5)6)44(57)49(13)39(30(7)8)46(59)52-28-23-26-35(52)42(55)51-27-22-25-34(51)36(53)18-4/h1,24,29-32,34-35,37-40H,16-23,25-28H2,2-14H3,(H,47,54)/b33-24+/t31-,32-,34-,35-,37-,38-,39-,40-/m0/s1
InChIKeyMRAAWPUFCZEHDM-SHRBXBQQSA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - PubMed (26539973)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Kurahyne B (CHEBI:227241) is a peptide (CHEBI:16670)
IUPAC Name 
(E)-2-methyl-N-[(2S,3S)-3-methyl-1-[methyl-[(2S,3S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(2S)-2-propanoylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]oct-2-en-7-ynamide
Manual XrefsDatabases
44210808ChemSpider