BioLiP

PDB

BioLiP

PDB CCD ID:

EHP

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O3

InChI:

InChI=1/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h12H

InChIKey:

JZKXXXDKRQWDET-QAXLLPJCDO

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](Cc1cccc(O)c1)C(O)=O
OpenEye OEToolkits 1.5.0	c1cc(cc(c1)O)C[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)Cc1cc(O)ccc1
OpenEye OEToolkits 1.5.0	c1cc(cc(c1)O)CC(C(=O)O)N
CACTVS 3.341	N[C@@H](Cc1cccc(O)c1)C(O)=O

Name:

3-HYDROXYPHENYLALANINE

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).