BioLiP

PDB

BioLiP

PDB CCD ID:

PSA

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O3

InChI:

InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10-/m0/s1

InChIKey:

JAJQQUQHMLWDFB-UWVGGRQHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)CC(O)C(N)Cc1ccccc1
CACTVS 3.370	N[CH](Cc1ccccc1)[CH](O)CC(O)=O
CACTVS 3.370	N[C@@H](Cc1ccccc1)[C@@H](O)CC(O)=O
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C[C@@H]([C@H](CC(=O)O)O)N
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CC(C(CC(=O)O)O)N

Name:

3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID

ZINC:

ZINC000002526314

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).