BioLiP

PDB

BioLiP

PDB CCD ID:

OUD

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O4

InChI:

InChI=1S/C5H10N2O4/c6-3(1-4(8)9)2-7-5(10)11/h3,7H,1-2,6H2,(H,8,9)(H,10,11)/t3-/m0/s1

InChIKey:

KNPMIAWBJUCARG-VKHMYHEASA-N

SMILES:

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

Name:

(3~{S})-3-azanyl-4-(carboxyamino)butanoic 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).