SEQ2FUN

BioLiP

PDB CCD ID: FBZ
Number of entries in BioLiP: 1
Chemical formula: C10 H12 O2
InChI: InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey: ZZEWMYILWXCRHZ-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(CC(=O)O)c1ccccc1
OpenEye OEToolkits 1.7.0C[C@@H](CC(=O)O)c1ccccc1
CACTVS 3.370C[CH](CC(O)=O)c1ccccc1
CACTVS 3.370C[C@@H](CC(O)=O)c1ccccc1
ACDLabs 12.01O=C(O)CC(c1ccccc1)C
Name:(3S)-3-phenylbutanoic acid
ZINC: ZINC000000388112
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).