EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:49004 - N-acetyl-LL-2,6-diaminopimelic acid
| Formula | C9H16N2O5 |
| Net Charge | 0 |
| Average Mass | 232.236 |
| Monoisotopic Mass | 232.10592 |
| SMILES | CC(=O)N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O |
| InChI | InChI=1S/C9H16N2O5/c1-5(12)11-7(9(15)16)4-2-3-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7-/m0/s1 |
| InChIKey | KYVLWJXMCBZDRL-BQBZGAKWSA-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). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004) has functional parent LL-2,6-diaminopimelic acid (CHEBI:16026) |
| N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004) is a amino dicarboxylic acid (CHEBI:36164) |
| N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004) is conjugate acid of N-acetyl-LL-2,6-diaminopimelate(1−) (CHEBI:58767) |
| N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004) is conjugate acid of N-acetyl-LL-2,6-diaminopimelate(2−) (CHEBI:18317) |
| Incoming Relation(s) |
| N-acetyl-LL-2,6-diaminopimelate(1−) (CHEBI:58767) is conjugate base of N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004) |
| N-acetyl-LL-2,6-diaminopimelate(2−) (CHEBI:18317) is conjugate base of N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004) |
| IUPAC Name |
|---|
| (2S,6S)-2-acetamido-6-aminoheptanedioic acid |
| Synonyms | Source |
|---|---|
| N6-Acetyl-LL-2,6-diaminoheptanedioate | KEGG COMPOUND |
| N2-Acetyl-LL-2,6-diaminoheptanedioate | KEGG COMPOUND |
| N6-Acetyl-LL-2,6-diaminopimelate | KEGG COMPOUND |
| N2-Acetyl-LL-2,6-diaminopimelate | KEGG COMPOUND |
| N6-Acetyl-L-2,6-diaminoheptanedioate | KEGG COMPOUND |
| N6-Acetyl-L-2,6-diaminopimelate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C04390 | KEGG COMPOUND |