BioLiP

PDB

BioLiP

PDB CCD ID:

P4E

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O2

InChI:

InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1

InChIKey:

MCGSKGBMVBECNS-QBBOHKLWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1ccc(cc1)C=CCC(C(=O)O)N
CACTVS 3.370	N[C@@H](C\C=C\c1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.2	c1ccc(cc1)C=CC[C@@H](C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)C/C=C/c1ccccc1
CACTVS 3.370	N[CH](CC=Cc1ccccc1)C(O)=O

Name:

(2S,4E)-2-amino-5-phenylpent-4-enoic acid

ZINC:

ZINC000002385776

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).