BioLiP

PDB

BioLiP

PDB CCD ID:

OLN

Number of entries in BioLiP:

Chemical formula:

C8 H15 N3 O4

InChI:

InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1

InChIKey:

WMQMIOYQXNRROC-LURJTMIESA-N

SMILES:

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

Name:

(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID;
N-ACETYL-L-CITRULLINE

DrugBank:

DB02368

ZINC:

ZINC000012494450

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).