BioLiP

PDB

BioLiP

PDB CCD ID:

BC8

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O10

InChI:

InChI=1S/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-/m0/s1

InChIKey:

GAQNUGISBQJMKO-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C(CC(=O)O)C(C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O
CACTVS 3.385	OC(=O)CC[CH](NC(=O)C(O)(CC(O)=O)CC(O)=O)C(O)=O
CACTVS 3.385	OC(=O)CC[C@H](NC(=O)C(O)(CC(O)=O)CC(O)=O)C(O)=O
ACDLabs 12.01	OC(=O)CC(O)(CC(O)=O)C(=O)NC(C(=O)O)CCC(O)=O
OpenEye OEToolkits 1.9.2	C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O

Name:

beta-citryl-L-glutamic 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).