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BioLiP

PDB CCD ID: 037
Number of entries in BioLiP: 0
Chemical formula: C8 H13 N O2
InChI: InChI=1S/C8H13NO2/c10-8(11)7-6-3-1-2-5(6)4-9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1
InChIKey: KWRNCAUXSJOYQO-ACZMJKKPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O
CACTVS 3.370OC(=O)[C@H]1NC[C@@H]2CCC[C@H]12
CACTVS 3.370OC(=O)[CH]1NC[CH]2CCC[CH]12
ACDLabs 12.01O=C(O)C1NCC2CCCC12
OpenEye OEToolkits 1.7.2C1CC2CNC(C2C1)C(=O)O
Name:(1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid
ZINC: ZINC000008699297
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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