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CHEBI:50431 - pre-putrebactin
| Formula | C16H30N4O7 |
| Net Charge | 0 |
| Average Mass | 390.437 |
| Monoisotopic Mass | 390.21145 |
| SMILES | NCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)O |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pre-putrebactin (CHEBI:50431) is a monocarboxylic acid (CHEBI:25384) |
| pre-putrebactin (CHEBI:50431) is tautomer of pre-putrebactin zwitterion (CHEBI:229777) |
| Incoming Relation(s) |
| 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 Xrefs | Databases |
|---|---|
| CPD-11965 | MetaCyc |
| Citations |
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