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BioLiP

PDB CCD ID: LXH
Number of entries in BioLiP: 2
Chemical formula: C10 H12 O2
InChI: InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m0/s1
InChIKey: DZIQUZJSNSZOCH-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H](c1ccccc1)C(=O)OC
CACTVS 3.385COC(=O)[CH](C)c1ccccc1
OpenEye OEToolkits 2.0.7CC(c1ccccc1)C(=O)OC
CACTVS 3.385COC(=O)[C@@H](C)c1ccccc1
Name:methyl (2~{S})-2-phenylpropanoate
ZINC: ZINC000037624047
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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