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CHEBI:45068 - 6-{4-[hydroxy-(4-nitrophenoxy)phosphoryl]butyrylamino}hexanoic acid
| Formula | C16H23N2O8P |
| Net Charge | 0 |
| Average Mass | 402.340 |
| Monoisotopic Mass | 402.11920 |
| SMILES | O=C(O)CCCCCNC(=O)CCCP(=O)(O)Oc1ccc([N+](=O)[O-])cc1 |
| InChI | InChI=1S/C16H23N2O8P/c19-15(17-11-3-1-2-6-16(20)21)5-4-12-27(24,25)26-14-9-7-13(8-10-14)18(22)23/h7-10H,1-6,11-12H2,(H,17,19)(H,20,21)(H,24,25) |
| InChIKey | WYHHVZLGTMCKOR-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-{4-[hydroxy-(4-nitrophenoxy)phosphoryl]butyrylamino}hexanoic acid (CHEBI:45068) has functional parent hexanoic acid (CHEBI:30776) |
| 6-{4-[hydroxy-(4-nitrophenoxy)phosphoryl]butyrylamino}hexanoic acid (CHEBI:45068) has role epitope (CHEBI:53000) |
| 6-{4-[hydroxy-(4-nitrophenoxy)phosphoryl]butyrylamino}hexanoic acid (CHEBI:45068) is a C-nitro compound (CHEBI:35716) |
| 6-{4-[hydroxy-(4-nitrophenoxy)phosphoryl]butyrylamino}hexanoic acid (CHEBI:45068) is a monocarboxylic acid (CHEBI:25384) |
| 6-{4-[hydroxy-(4-nitrophenoxy)phosphoryl]butyrylamino}hexanoic acid (CHEBI:45068) is a organic phosphonate (CHEBI:37592) |
| IUPAC Name |
|---|
| 6-{4-[hydroxy(4-nitrophenoxy)phosphoryl]butanamido}hexanoic acid |
| Synonym | Source |
|---|---|
| 6-({4-[hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}amino)hexanoic acid | IUPAC |
| Citations |
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