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CHEBI:222686 - Peptaibolin

ChEBI IDCHEBI:222686
ChEBI NamePeptaibolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H51N5O6
Net Charge0
Average Mass589.778
Monoisotopic Mass589.38393
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C31H51N5O6/c1-19(2)15-24(32-21(5)38)26(39)35-31(8,9)29(42)34-25(16-20(3)4)27(40)36-30(6,7)28(41)33-23(18-37)17-22-13-11-10-12-14-22/h10-14,19-20,23-25,37H,15-18H2,1-9H3,(H,32,38)(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t23-,24+,25+/m1/s1
InChIKeyKYTOQCVRVYQYDN-DSITVLBTSA-N
Species of MetaboliteComponentSourceComments
Sepedonium (ncbitaxon:74837) - PubMed (9918401)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Peptaibolin (CHEBI:222686) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-acetamido-N-[1-[[(2S)-1-[[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-methylpentanamide