BioLiP

PDB

BioLiP

PDB CCD ID:

UU5

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O4

InChI:

InChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-8-5(10)3-9/h3-4H,1-2,7H2,(H,8,10)(H,11,12)/t4-/m0/s1

InChIKey:

RNHFRBDAMXTSCX-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CNC(=O)C=O)C(C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)CCNC(=O)C=O
OpenEye OEToolkits 1.7.6	C(CNC(=O)C=O)[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](CCNC(=O)C=O)C(O)=O
CACTVS 3.385	N[C@@H](CCNC(=O)C=O)C(O)=O

Name:

(2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid

ZINC:

ZINC000098209513

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).