BioLiP

PDB

BioLiP

PDB CCD ID:

U6A

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O5

InChI:

InChI=1S/C5H9NO5/c1-2(7)3(4(8)9)6-5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)/t2-,3+/m1/s1

InChIKey:

OJLPTWSLDBSLEH-GBXIJSLDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C(C(=O)O)NC(=O)O)O
CACTVS 3.385	C[C@@H](O)[C@H](NC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C[C@H]([C@@H](C(=O)O)NC(=O)O)O
ACDLabs 12.01	C(NC(C(C)O)C(=O)O)(O)=O
CACTVS 3.385	C[CH](O)[CH](NC(O)=O)C(O)=O

Name:

N-carboxy-L-threonine

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).