CHEBI:84321 - dapdiamide B zwitterion

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ChEBI Name dapdiamide B zwitterion ChEBI ID CHEBI:84321 Definition A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide B; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H22N4O5 Net Charge 0 Average Mass 314.33760 Monoisotopic Mass 314.15902 InChI InChI=1S/C13H22N4O5/c1-3-7(2)11(13(21)22)17-12(20)8(14)6-16-10(19)5-4-9(15)18/h4-5,7-8,11H,3,6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/b5-4+/t7-,8-,11-/m0/s1 InChIKey WSFQKSIBZODGPB-RWWNVWANSA-N SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing dapdiamide B zwitterion (CHEBI:84321) has role bacterial metabolite (CHEBI:76969) dapdiamide B zwitterion (CHEBI:84321) is a peptide zwitterion (CHEBI:60466) dapdiamide B zwitterion (CHEBI:84321) is tautomer of dapdiamide B (CHEBI:85332) Incoming dapdiamide B (CHEBI:85332) is tautomer of dapdiamide B zwitterion (CHEBI:84321) IUPAC Name (2S,3S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-3-methylpentanoate Synonym Source dapdiamide B UniProt Manual Xref Database CPD-17540 MetaCyc View more database links Citation Type Source 19807062 PubMed citation SUBMITTER Last Modified 26 March 2015