CHEBI:50431 - pre-putrebactin

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ChEBI Name pre-putrebactin ChEBI ID CHEBI:50431 Stars This entity has been manually annotated by the ChEBI Team. 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 C16H30N4O7 Net Charge 0 Average Mass 390.43216 Monoisotopic Mass 390.21145 InChI InChI=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) InChIKey MMTPETIUERTJQL-UHFFFAOYSA-N SMILES NCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing pre-putrebactin (CHEBI:50431) is a monocarboxylic acid (CHEBI:25384) pre-putrebactin (CHEBI:50431) is tautomer of pre-putrebactin zwitterion (CHEBI:229777) Incoming pre-putrebactin zwitterion (CHEBI:229777) is tautomer of pre-putrebactin (CHEBI:50431) IUPAC Name 4-{[4-({4-[(4-aminobutyl)(hydroxy)amino]-4-oxobutanoyl}amino)butyl](hydroxy)amino}-4-oxobutanoic acid Manual Xref Database CPD-11965 MetaCyc View more database links Citation Type Source 18630910 PubMed citation Europe PMC Last Modified 25 March 2024