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BioLiP

PDB CCD ID: ZNY
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N O3
InChI: InChI=1S/C7H13NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKey: UGNGLHKEESUVLW-RITPCOANSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCO[C@H]1CN[C@@H](C1)C(O)=O
CACTVS 3.385CCO[CH]1CN[CH](C1)C(O)=O
OpenEye OEToolkits 2.0.7CCO[C@@H]1C[C@H](NC1)C(=O)O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CCOC1CC(NC1)C(=O)O
Name:(4R)-4-ethoxy-L-proline
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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