BioLiP

PDB

BioLiP

PDB CCD ID:

UGC

Number of entries in BioLiP:

Chemical formula:

C3 H6 N2 O4

InChI:

InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1

InChIKey:

NWZYYCVIOKVTII-SFOWXEAESA-N

SMILES:

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

Name:

(2S)-(carbamoylamino)(hydroxy)ethanoic acid;
(S)-Ureidoglycolate

ZINC:

ZINC000094437740

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).