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BioLiP

PDB CCD ID: 9RW
Number of entries in BioLiP: 4
Chemical formula: C9 H10 O2
InChI: InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
InChIKey: YPGCWEMNNLXISK-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(c1ccccc1)C(=O)O
OpenEye OEToolkits 2.0.6C[C@@H](c1ccccc1)C(=O)O
CACTVS 3.385C[CH](C(O)=O)c1ccccc1
CACTVS 3.385C[C@H](C(O)=O)c1ccccc1
Name:(2~{S})-2-phenylpropanoic acid
ZINC: ZINC000000391877
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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