bmse000382 N-Acetyl-L-glutamic acid at BMRB

N-Acetyl-L-glutamic acid

acetylglutamic acid; N-Acetyl-L-glutamate; NLG; L-N-Acetylglutamic acid; Glutamic acid, N-acetyl-, L- (8CI); Acetylglutamic acid; L-Glutamic acid, N-acetyl-; N-acetyl-L-glutamic acid; (S)-2-(acetylamino)pentanedioic acid; Acetyl glutamic acid; N-Acetylglutamic acid

Molecular Formula: C7 H11 N O5
Natural Isotopic Abundance Mass: 189.16594
Mono-Isotopic Molecular Masses: C12N14: 189.0637224688; C13N14: 196.0872063334; C12N15: 190.060757362; C13N15: 197.0842412266

N-Acetyl-L-glutamic acid

InCHi String:
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

canonical SMILES:
CC(=O)NC(CCC(=O)O)C(=O)O
isomeric SMILES:
CC(=O)N[C@@H](CCC(=O)O)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-acetamidopentanedioic acid

PUBCHEM iupac TRADITIONAL NAME
(2S)-2-acetamidoglutaric acid

PubChem Substance (SID):   85165176   43127318   11491212
PubChem Compound (CID):   70914
KEGG: Compound ID   C00624
CAS Registry IDs:   7728-87-2   1188-37-0
PDB Chemical Component   NLG
Miscellaneous Databases and IDs:   Sigma-Aldrich 855642_ALDRICH   ChEBI CHEBI:17533   ChemIDplus 001188370   ChemSpider 64077   MMDB 61877.3   EINECS 214-708-4   NMRShiftDB 20112345

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.