BioLiP

PDB

BioLiP

PDB CCD ID:

MGG

Number of entries in BioLiP:

Chemical formula:

C9 H17 N4 O5

InChI:

InChI=1S/C9H16N4O5/c10-9(11)12-3-1-2-5(8(17)18)13-6(14)4-7(15)16/h5H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H4,10,11,12)/p+1/t5-/m1/s1

InChIKey:

OBXDDNPKMORRHB-RXMQYKEDSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CC(C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N
OpenEye OEToolkits 1.5.0	C(C[C@H](C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N
ACDLabs 10.04	O=C(NC(C(=O)O)CCCNC(=[NH2+])\N)CC(=O)O
CACTVS 3.341	NC(=[NH2+])NCCC[CH](NC(=O)CC(O)=O)C(O)=O
CACTVS 3.341	NC(=[NH2+])NCCC[C@@H](NC(=O)CC(O)=O)C(O)=O

Name:

2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO-PENTANOIC ACID;
D-ARGININE WITH 3-OXO-PROPIONIC ACID MODIFICATION

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).