N-Acetyl-L-glutamic acid
PubChem CID: 70914
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| Compound Synonyms | N-Acetyl-L-glutamic acid, 1188-37-0, acetylglutamic acid, N-acetyl-L-glutamate, N-Acetylglutamate, Acetyl-L-glutamic acid, Acetyl glutamic acid, Ac-Glu-OH, N-acetylglutamic acid, (2S)-2-acetamidopentanedioic acid, L-N-Acetylglutamic acid, L-Glutamic acid, N-acetyl-, Glutamic acid, N-acetyl-, L-, Glutamic acid, N-acetyl-, CHEBI:17533, N-Ac-Glu-OH, MFCD00002802, MA61H539YZ, DTXSID3046534, (S)-2-(acetylamino)pentanedioic acid, NCGC00166080-01, acetylglutamate, NLG, DTXCID1026534, N-Acetyl-L-glutamicAcid, CAS-1188-37-0, Ac-L-Glu-OH, n-acetyl glutamic acid, EINECS 214-708-4, UNII-MA61H539YZ, acetyl-glutamate, N-acetyl-l-glu, (S)-2-acetamidopentanedioic acid, DL-Acetylglutamate, Ac-Glu, N-acetyl-glutamate, N-acetyl L-glutamate, Glutamic acid, N-acetyl- (6CI,7CI), N-Ac-L-Glu, N-Acetyl-DL-glutamate, N-acetyl-Glutamic acid, Spectrum_000981, N-Acetylglutamic acid #, Spectrum2_001349, Spectrum3_001397, Spectrum4_000892, Spectrum5_001040, N-acetyl L-glutamic acid, bmse000382, EC 214-708-4, N-Acetyl-L-glutamic acid?, SCHEMBL82128, BSPBio_003014, KBioGR_001324, KBioSS_001461, DivK1c_000406, SPECTRUM1500703, SPBio_001537, 2-acetamido-L-Glutaraldehydate, (2S)-2-acetamidoglutaric acid, CHEMBL1234751, FEMA NO. 4752, N-ACETYL-S-GLUTAMIC ACID, HMS501E08, KBio1_000406, KBio2_001461, KBio2_004029, KBio2_006597, KBio3_002234, NINDS_000406, HMS1921E14, 2-acetamido-L-Glutaraldehydic acid, N-Acetylglutamic gamma-semialdehyde, Tox21_112308, AC9784, BDBM50151383, CCG-39287, s6245, AKOS015837749, Tox21_112308_1, CS-W015956, DB04075, FA10860, HY-W015240, Glutamic acid, N-acetyl-, L- (8CI), IDI1_000406, NCGC00094839-04, NCGC00166080-02, AC-24110, AS-12953, DB-038054, N-Acetyl-L-glutamic acid-gamma-semialdehyde, .ALPHA.-(N-ACETYL)-L-GLUTAMIC ACID, A0693, NS00068576, C00624, EN300-881279, N-Acetyl-L-glutamic acid, ReagentPlus(R), 99%, Q63390524, Z98654650, 17A85284-85CE-4442-B1DA-2E5EE18AA75F, N-Acetyl-L-glutamic acid, Vetec(TM) reagent grade, 99%, InChI=1/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)/t5-/m0/s |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Description | N-acetyl-l-glutamate, also known as L-N-acetylglutamic acid or ac-glu-oh, belongs to glutamic acid and derivatives class of compounds. Those are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-acetyl-l-glutamate is soluble (in water) and a weakly acidic compound (based on its pKa). N-acetyl-l-glutamate can be found in a number of food items such as cardoon, almond, butternut squash, and avocado, which makes N-acetyl-l-glutamate a potential biomarker for the consumption of these food products. N-acetyl-l-glutamate may be a unique S.cerevisiae (yeast) metabolite. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q03164, Q9NPD5, Q9Y6L6, Q9H3R0, Q9H255 |
| Iupac Name | (2S)-2-acetamidopentanedioic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT1038, NPT2725 |
| Xlogp | -1.8 |
| Molecular Formula | C7H11NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RFMMMVDNIPUKGG-YFKPBYRVSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -0.933 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.734 |
| Compound Name | N-Acetyl-L-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)/t5-/m0/s1 |
| Smiles | CC(=O)N[C@@H](CCC(=O)O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all