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BioLiP

PDB CCD ID: NIG
Number of entries in BioLiP: 1
Chemical formula: C6 H10 N2 O4
InChI: InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
InChIKey: NRXIKWMTVXPVEF-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CC[C@H](NC=N)C(O)=O
OpenEye OEToolkits 1.5.0[H]N=CNC(CCC(=O)O)C(=O)O
OpenEye OEToolkits 1.5.0[H]/N=C\N[C@@H](CCC(=O)O)C(=O)O
ACDLabs 10.04O=C(O)CCC(NC=[N@H])C(=O)O
CACTVS 3.341OC(=O)CC[CH](NC=N)C(O)=O
Name:N-(IMINOMETHYL)-L-GLUTAMIC ACID;
N-FORMIMINO-L-GLUTAMATE
ZINC: ZINC000001532658
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)(download the PDF file).
  • 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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