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BioLiP Library

PDB CCD ID: 7N0
Number of entries in BioLiP: 2
Chemical formula: C7 H10 O3
InChI: InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKey: OLLLIBGOZUPLOK-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C[C@@H]1CCCC1=O
CACTVS 3.385OC(=O)C[CH]1CCCC1=O
OpenEye OEToolkits 2.0.6C1CC(C(=O)C1)CC(=O)O
OpenEye OEToolkits 2.0.6C1C[C@H](C(=O)C1)CC(=O)O
Name:2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid
ZINC: ZINC000000403345
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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