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CHEBI:226982 - Kurahyne

ChEBI IDCHEBI:226982
ChEBI NameKurahyne
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H78N6O7
Net Charge0
Average Mass839.176
Monoisotopic Mass838.59320
SMILESC#CCCC/C=C(\C)C(=O)N(C)[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/C47H78N6O7/c1-16-20-21-22-25-34(11)42(55)50(14)40(32(9)17-2)46(59)51(15)41(33(10)18-3)45(58)48(12)38(30(5)6)44(57)49(13)39(31(7)8)47(60)53-29-24-27-36(53)43(56)52-28-23-26-35(52)37(54)19-4/h1,25,30-33,35-36,38-41H,17-24,26-29H2,2-15H3/b34-25+/t32-,33-,35-,36-,38-,39-,40-,41-/m0/s1
InChIKeyLXNZOJGPYBTQHD-BTEYVOOESA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - DOI (10.1039/c4ra00132j)
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 (CHEBI:226982) is a peptide (CHEBI:16670)
IUPAC Name 
(E)-N,2-dimethyl-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
32675060ChemSpider