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BioLiP

PDB CCD ID: NLQ
Number of entries in BioLiP: 6
Chemical formula: C7 H12 N2 O4
InChI: InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1
InChIKey: KSMRODHGGIIXDV-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC(CCC(=O)N)C(=O)O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CCC(=O)N)C(=O)O
CACTVS 3.341CC(=O)N[CH](CCC(N)=O)C(O)=O
CACTVS 3.341CC(=O)N[C@@H](CCC(N)=O)C(O)=O
ACDLabs 10.04O=C(NC(C(=O)O)CCC(=O)N)C
Name:N~2~-ACETYL-L-GLUTAMINE;
N-ACETYL-L-GLUTAMINE
ChEMBL: CHEMBL1234757
DrugBank: DB04167
ZINC: ZINC000002019886
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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