SEQ2FUN

BioLiP

PDB CCD ID: 56D
Number of entries in BioLiP: 8
Chemical formula: C10 H10 O3
InChI: InChI=1S/C10H10O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)/t7-/m1/s1
InChIKey: AXLLOSUYAVXOIN-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@H](c1ccccc1)C(=O)C(=O)O
CACTVS 3.370C[CH](c1ccccc1)C(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(c1ccccc1)C(=O)C(=O)O
CACTVS 3.370C[C@H](c1ccccc1)C(=O)C(O)=O
ACDLabs 12.01O=C(O)C(=O)C(c1ccccc1)C
Name:(3R)-2-oxo-3-phenylbutanoic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).