BioLiP

PDB

BioLiP

PDB CCD ID:

YHA

Number of entries in BioLiP:

Chemical formula:

C7 H15 N3 O3

InChI:

InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1

InChIKey:

XIGSAGMEBXLVJJ-YFKPBYRVSA-N

SMILES:

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

Name:

Homocitrulline;
N~6~-carbamoyl-L-lysine

ZINC:

ZINC000001529431

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).