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BioLiP Library

PDB CCD ID: AJE
Number of entries in BioLiP: 0
Chemical formula: C9 H14 N2 O5
InChI: InChI=1S/C9H14N2O5/c10-6-4-11(3-5(6)9(15)16)7(12)1-2-8(13)14/h5-6H,1-4,10H2,(H,13,14)(H,15,16)/t5-,6-/m0/s1
InChIKey: QDGOKWHAZOUJTP-WDSKDSINSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C(C(CN1C(=O)CCC(=O)O)N)C(=O)O
CACTVS 3.385N[CH]1CN(C[CH]1C(O)=O)C(=O)CCC(O)=O
OpenEye OEToolkits 1.7.6C1[C@@H]([C@H](CN1C(=O)CCC(=O)O)N)C(=O)O
ACDLabs 12.01O=C(N1CC(C(=O)O)C(N)C1)CCC(=O)O
CACTVS 3.385N[C@H]1CN(C[C@@H]1C(O)=O)C(=O)CCC(O)=O
Name:(3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid
ZINC: ZINC000263620925
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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