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BioLiP

PDB CCD ID: PKR
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O2
InChI: InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey: CWLQUGTUXBXTLF-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CN1CCCC1C(=O)O
CACTVS 3.370CN1CCC[C@H]1C(O)=O
ACDLabs 12.01O=C(O)C1N(C)CCC1
CACTVS 3.370CN1CCC[CH]1C(O)=O
OpenEye OEToolkits 1.7.0C[N@@]1CCC[C@H]1C(=O)O
Name:(2S)-1-methylpyrrolidine-2-carbaldehyde
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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