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BioLiP

PDB CCD ID: PCV
Number of entries in BioLiP: 1
Chemical formula: C8 H14 N2 O4
InChI: InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5-,7+/m1/s1
InChIKey: NMCINKPVAOXDJH-VDTYLAMSSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1N(C(C(=O)O)C(O)CCN)CC1
CACTVS 3.341NCC[CH](O)[CH](N1CCC1=O)C(O)=O
CACTVS 3.341NCC[C@@H](O)[C@H](N1CCC1=O)C(O)=O
OpenEye OEToolkits 1.5.0C1CN(C1=O)C(C(CCN)O)C(=O)O
OpenEye OEToolkits 1.5.0C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O
Name:5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID;
PROCLAVAMINIC 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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