SEQ2FUN

BioLiP

PDB CCD ID: PHA
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O
InChI: InChI=1S/C9H11NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6,10H2/t9-/m0/s1
InChIKey: CQIUZHAQYHXKRY-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C=O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C=O)N
ACDLabs 10.04O=CC(N)Cc1ccccc1
CACTVS 3.341N[CH](Cc1ccccc1)C=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C=O
Name:PHENYLALANINAL
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).