BioLiP

PDB

BioLiP

PDB CCD ID:

UGY

Number of entries in BioLiP:

Chemical formula:

C3 H7 N3 O3

InChI:

InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1

InChIKey:

VTFWFHCECSOPSX-SFOWXEAESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(C(=O)O)(N)NC(=O)N
OpenEye OEToolkits 1.7.6	[C@H](C(=O)O)(N)NC(=O)N
ACDLabs 12.01	O=C(N)NC(N)C(=O)O
CACTVS 3.370	N[C@@H](NC(N)=O)C(O)=O
CACTVS 3.370	N[CH](NC(N)=O)C(O)=O

Name:

(2S)-amino(carbamoylamino)ethanoic acid;
(S)-2-ureidoglycine

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).