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CHEBI:229779 - bisucaberin B zwitterion

ChEBI IDCHEBI:229779
ChEBI Namebisucaberin B zwitterion
Stars
DefinitionA tautomer resulting from the transfer of a proton from the carboxy group to the amino group of bisucaberin B; Major microspecies at pH 7.3.
Last Modified25 March 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H34N4O7
Net Charge0
Average Mass418.491
Monoisotopic Mass418.24275
SMILES[NH3+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)[O-]
InChIInChI=1S/C18H34N4O7/c19-11-3-1-5-13-21(28)16(24)8-7-15(23)20-12-4-2-6-14-22(29)17(25)9-10-18(26)27/h28-29H,1-14,19H2,(H,20,23)(H,26,27)
InChIKeyBFOMYWUPLOKASM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
bisucaberin B zwitterion (CHEBI:229779) is a zwitterion (CHEBI:27369)
bisucaberin B zwitterion (CHEBI:229779) is tautomer of bisucaberin B (CHEBI:209443)
Incoming Relation(s)
bisucaberin B (CHEBI:209443) is tautomer of bisucaberin B zwitterion (CHEBI:229779)
IUPAC Name 
4-[(5-{4-[(5-azaniumylpentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)(hydroxy)amino]-4-oxobutanoate
Synonym  Source
pre-bisucaberin zwitterionChEBI
UniProt Name  Source
bisucaberin BUniProt
Manual XrefsDatabases
CPD-11974MetaCyc
Citations