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CHEBI:194108 - (2S)-2,6-bis[(3R)-3-isocyanobutanamido]hexan-1-ol

ChEBI IDCHEBI:194108
ChEBI Name(2S)-2,6-bis[(3R)-3-isocyanobutanamido]hexan-1-ol
Stars
ASCII Name(2S)-2,6-bis[(3R)-3-isocyanobutanamido]hexan-1-ol
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H26N4O3
Net Charge0
Average Mass322.409
Monoisotopic Mass322.20049
SMILES[C-]#[N+][C@H](C)CC(=O)NCCCC[C@@H](CO)NC(=O)C[C@@H](C)[N+]#[C-]
InChIInChI=1S/C16H26N4O3/c1-12(17-3)9-15(22)19-8-6-5-7-14(11-21)20-16(23)10-13(2)18-4/h12-14,21H,5-11H2,1-2H3,(H,19,22)(H,20,23)/t12-,13-,14+/m1/s1
InChIKeyOWRVBXRUAASKRV-MCIONIFRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2,6-bis[(3R)-3-isocyanobutanamido]hexan-1-ol (CHEBI:194108) is a an isonitrile lipopeptide (CHEBI:194107)
IUPAC Name 
(3R)-N-[(2S)-1-hydroxy-6-[(3R)-3-isocyanobutanamido]hexan-2-yl]-3-isocyanobutanamide
UniProt Name  Source
(2S)-2,6-bis[(3R)-3-isocyanobutanamido]hexan-1-olUniProt
Manual XrefsDatabases
CPD-24902MetaCyc
Citations