N-Acetyl-DL-glutamic acid
PubChem CID: 185
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| Compound Synonyms | 2-acetamidopentanedioic acid, N-Acetyl-DL-glutamic acid, 5817-08-3, N-acetylglutamic acid, ACEGLUMATE, DL-Acetylglutamic acid, Acetyl-DL-glutamic acid, acetylglutamate, Glutamic acid, N-acetyl-, N-Acetyl-DL-glutamicAcid, acetyl-glu, 339072-10-5, MFCD00063195, Maybridge1_002521, 2-acetamidopentanedioicacid, MLS002207281, DivK1c_001273, DL-Glutamic acid, N-acetyl-, SCHEMBL198970, CHEMBL2142890, HMS548K13, DTXSID00859595, CHEBI:172431, RFMMMVDNIPUKGG-UHFFFAOYSA-N, NSC10854, EINECS 227-388-6, BBL012280, BTB 13546, NSC 10854, NSC-10854, STK803143, AKOS005614049, AB02539, CS-W015958, FA41588, CDS1_000233, N-Acetylglutamic acid (Ac-DL-Glu-OH), NCGC00094839-01, NCGC00094839-02, AS-59424, SMR001306797, SY017890, DB-053163, NS00002099, D95099, EN300-7397724, AG-205/32710033, AG-205/32710037, Q307661, 102F8DF7-7489-46B2-80D2-B34561C2DF56 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Description | N-Acetylglutamic acid (abbreviated NAcGlu) is biosynthesized from glutamic acid and acetyl-CoA by the enzyme NAGS. The reverse reaction, hydrolysis of the acetyl group, is catalyzed by a specific hydrolase. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P31327, Q8N159, Q6IB77, Q969I3, Q8WU03 |
| Uniprot Id | O75496, n.a. |
| Iupac Name | 2-acetamidopentanedioic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.8 |
| Molecular Formula | C7H11NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RFMMMVDNIPUKGG-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -0.933 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | -0.734 |
| Synonyms | 2-acetamido-L-Glutaraldehydate, 2-acetamido-L-Glutaraldehydic acid, Ac-Glu-OH, acetyl-glutamate, Acetyl-L-glutamate, Acetyl-L-glutamic acid, acetylglutamate, acetylglutamic acid, DL-Acetylglutamate, DL-Acetylglutamic acid, N-Ac-Glu-OH, N-acetyl L-glutamate, N-acetyl L-glutamic acid, N-Acetyl-DL-glutamate, N-Acetyl-DL-glutamic acid, N-acetyl-Glutamate, N-acetyl-Glutamic acid, N-Acetyl-L-glutamate, N-Acetyl-L-glutamic acid, N-Acetyl-L-glutamic acid-gamma-semialdehyde, N-Acetylglutamate, N-Acetylglutamic acid, N-Acetylglutamic gamma-semialdehyde |
| Compound Name | N-Acetyl-DL-glutamic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 189.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 189.064 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 189.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.39933539999999984 |
| Inchi | InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) |
| Smiles | CC(=O)NC(CCC(=O)O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all