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BioLiP

PDB CCD ID: DPL
Number of entries in BioLiP: 0
Chemical formula: C5 H7 N O3
InChI: InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)/t4-/m0/s1
InChIKey: HFXAFXVXPMUQCQ-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@H](NCC1=O)C(=O)O
CACTVS 3.341OC(=O)[CH]1CC(=O)CN1
ACDLabs 10.04O=C(O)C1NCC(=O)C1
OpenEye OEToolkits 1.5.0C1C(NCC1=O)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CC(=O)CN1
Name:4-OXOPROLINE
ZINC: ZINC000000901173
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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