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BioLiP

PDB CCD ID: ECD
Number of entries in BioLiP: 2
Chemical formula: C6 H12 N3 O2
InChI: InChI=1S/C6H11N3O2/c7-6-8-3-4(9-6)1-2-5(10)11/h4H,1-3H2,(H,10,11)(H3,7,8,9)/p+1/t4-/m1/s1
InChIKey: XWJJYUBXTJRSEQ-SCSAIBSYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1[C@H](NC(=[NH2+])N1)CCC(=O)O
CACTVS 3.370OC(=O)CC[CH]1CNC(=[NH2+])N1
ACDLabs 12.01O=C(O)CCC1NC(/NC1)=[NH2+]
CACTVS 3.370OC(=O)CC[C@@H]1CNC(=[NH2+])N1
OpenEye OEToolkits 1.7.6C1C(NC(=[NH2+])N1)CCC(=O)O
Name:(4R)-4-(2-carboxyethyl)imidazolidin-2-iminium
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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