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BioLiP

PDB CCD ID: PDW
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O2
InChI: InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKey: BLWYXBNNBYXPPL-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		COC(=O)[C@H]1CCCN1
CACTVS 3.370COC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.7.6COC(=O)C1CCCN1
ACDLabs 12.01O=C(OC)C1NCCC1
Name:methyl D-prolinate
ZINC: ZINC000053151193
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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