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CHEBI:74089 - aspartyl adenylate β-ketophosphonate isostere
| Formula | C15H21N6O9P |
| Net Charge | 0 |
| Average Mass | 460.340 |
| Monoisotopic Mass | 460.11076 |
| SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CC(=O)[C@@H](N)CC(=O)O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C15H21N6O9P/c16-6(1-9(23)24)7(22)3-31(27,28)29-2-8-11(25)12(26)15(30-8)21-5-20-10-13(17)18-4-19-14(10)21/h4-6,8,11-12,15,25-26H,1-3,16H2,(H,23,24)(H,27,28)(H2,17,18,19)/t6-,8+,11+,12+,15+/m0/s1 |
| InChIKey | KMYVNAQFBILXBR-WXGITVOHSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| aspartyl adenylate β-ketophosphonate isostere (CHEBI:74089) has functional parent adenosine (CHEBI:16335) |
| aspartyl adenylate β-ketophosphonate isostere (CHEBI:74089) has role metabolite (CHEBI:25212) |
| aspartyl adenylate β-ketophosphonate isostere (CHEBI:74089) is a L-aspartic acid derivative (CHEBI:83978) |
| aspartyl adenylate β-ketophosphonate isostere (CHEBI:74089) is a organic phosphonate (CHEBI:37592) |
| aspartyl adenylate β-ketophosphonate isostere (CHEBI:74089) is a β-amino acid (CHEBI:33706) |
| IUPAC Name |
|---|
| 5'-O-{[(3S)-3-amino-4-carboxy-2-oxobutyl](hydroxy)phosphoryl}adenosine |
| Synonym | Source |
|---|---|
| aspartyl-phosphonate-adenosine | MetaCyc |
| Manual Xrefs | Databases |
|---|---|
| CPD0-916 | MetaCyc |
| Citations |
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