BioLiP

PDB

BioLiP

PDB CCD ID:

0AC

Number of entries in BioLiP:

Chemical formula:

C12 H17 N O3

InChI:

InChI=1S/C12H17NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11-/m0/s1

InChIKey:

RZDSOGPADIZKDQ-QWRGUYRKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](Cc1ccccc1)[C@@H](O)CCC(O)=O
ACDLabs 12.01	O=C(O)CCC(O)C(N)Cc1ccccc1
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CC(C(CCC(=O)O)O)N
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N
CACTVS 3.385	N[CH](Cc1ccccc1)[CH](O)CCC(O)=O

Name:

(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid

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).