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BioLiP Library

PDB CCD ID: DUW
Number of entries in BioLiP: 1
Chemical formula: C10 H10 O3
InChI: InChI=1S/C10H10O3/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,12,13)/t9-/m1/s1
InChIKey: NAYOGLQOGCMXAU-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)C[C@H](C=O)C(=O)O
CACTVS 3.385OC(=O)[C@H](Cc1ccccc1)C=O
CACTVS 3.385OC(=O)[CH](Cc1ccccc1)C=O
OpenEye OEToolkits 2.0.6c1ccc(cc1)CC(C=O)C(=O)O
Name:(2R)-2-methanoyl-3-phenyl-propanoic 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)(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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