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BioLiP

PDB CCD ID: OPH
Number of entries in BioLiP: 0
Chemical formula: C10 H12 O3
InChI: InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m0/s1
InChIKey: NMPPJJIBQQCOOI-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COC(=O)[CH](O)Cc1ccccc1
OpenEye OEToolkits 1.5.0COC(=O)[C@H](Cc1ccccc1)O
ACDLabs 10.04O=C(OC)C(O)Cc1ccccc1
OpenEye OEToolkits 1.5.0COC(=O)C(Cc1ccccc1)O
CACTVS 3.341COC(=O)[C@@H](O)Cc1ccccc1
Name:2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER
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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