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BioLiP

PDB CCD ID: WEH
Number of entries in BioLiP: 0
Chemical formula: C6 H12 N2 O3
InChI: InChI=1S/C6H12N2O3/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m1/s1
InChIKey: YZJSUQQZGCHHNQ-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC(C(=O)O)N)CC(=O)N
OpenEye OEToolkits 2.0.7C(C[C@@H](C(=O)O)N)CC(=O)N
CACTVS 3.385N[CH](CCCC(N)=O)C(O)=O
CACTVS 3.385N[C@H](CCCC(N)=O)C(O)=O
Name:L-Homoglutamine;
(2~{S})-2,6-bis(azanyl)-6-oxidanylidene-hexanoic acid
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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