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CHEBI:229777 - pre-putrebactin zwitterion

ChEBI IDCHEBI:229777
ChEBI Namepre-putrebactin zwitterion
Stars
DefinitionA zwitterion obtained by transfer of a proton from the carboxy group to the amino group of pre-putrebactin; Major microspecies at pH 7.3.
Last Modified25 March 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H30N4O7
Net Charge0
Average Mass390.437
Monoisotopic Mass390.21145
SMILES[NH3+]CCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)[O-]
InChIInChI=1S/C16H30N4O7/c17-9-1-3-11-19(26)14(22)6-5-13(21)18-10-2-4-12-20(27)15(23)7-8-16(24)25/h26-27H,1-12,17H2,(H,18,21)(H,24,25)
InChIKeyMMTPETIUERTJQL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
pre-putrebactin zwitterion (CHEBI:229777) is a zwitterion (CHEBI:27369)
pre-putrebactin zwitterion (CHEBI:229777) is tautomer of pre-putrebactin (CHEBI:50431)
Incoming Relation(s)
pre-putrebactin (CHEBI:50431) is tautomer of pre-putrebactin zwitterion (CHEBI:229777)
IUPAC Name 
4-[(4-{4-[(4-azaniumylbutyl)(hydroxy)amino]-4-oxobutanamido}butyl)(hydroxy)amino]-4-oxobutanoate
UniProt Name  Source
pre-putrebactinUniProt
Citations