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BioLiP

PDB CCD ID: L1V
Number of entries in BioLiP: 8
Chemical formula: C15 H16 O5
InChI: InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m0/s1
InChIKey: AIBKYDBZFDNIIN-NWDGAFQWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O
CACTVS 3.385OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)C2CCCC2CC(=O)O)C(=O)O
CACTVS 3.385OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccc(cc2)C(O)=O
ACDLabs 12.01C1CC(C(CC(=O)O)C1)C(c2ccc(cc2)C(O)=O)=O
Name:4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
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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