SEQ2FUN

BioLiP

PDB CCD ID: PPP
Number of entries in BioLiP: 0
Chemical formula: C9 H12 O2
InChI: InChI=1S/C9H12O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-/m0/s1
InChIKey: JHWQMXKQJVAWKI-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(CO)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](CO)O
CACTVS 3.341OC[CH](O)Cc1ccccc1
ACDLabs 10.04OC(Cc1ccccc1)CO
CACTVS 3.341OC[C@@H](O)Cc1ccccc1
Name:3-PHENYL-1,2-PROPANDIOL
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).