BioLiP

PDB

BioLiP

PDB CCD ID:

ECC

Number of entries in BioLiP:

Chemical formula:

C5 H12 N2 O2

InChI:

InChI=1S/C5H12N2O2/c6-4(3-8)1-2-5(7)9/h4,8H,1-3,6H2,(H2,7,9)/t4-/m0/s1

InChIKey:

FQLOSLKSJZSARD-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	C(CC(=O)N)[C@@H](CO)N
CACTVS 3.370	N[CH](CO)CCC(N)=O
OpenEye OEToolkits 1.7.2	C(CC(=O)N)C(CO)N
CACTVS 3.370	N[C@H](CO)CCC(N)=O
ACDLabs 12.01	O=C(N)CCC(N)CO

Name:

(4S)-4-amino-5-hydroxypentanamide

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).