BioLiP

PDB

BioLiP

PDB CCD ID:

OUE

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O4

InChI:

InChI=1S/C6H12N2O4/c7-4(1-2-5(9)10)3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1

InChIKey:

OFEONCRDIBQIKF-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(CC(=O)O)C(CNC(=O)O)N
OpenEye OEToolkits 2.0.6	C(CC(=O)O)[C@@H](CNC(=O)O)N
CACTVS 3.385	N[C@@H](CCC(O)=O)CNC(O)=O
CACTVS 3.385	N[CH](CCC(O)=O)CNC(O)=O

Name:

(4~{S})-4-azanyl-5-(carboxyamino)pentanoic 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).