BioLiP

PDB

BioLiP

PDB CCD ID:

6CL

Number of entries in BioLiP:

Chemical formula:

C7 H15 N2 O4

InChI:

InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/p+1/t4-,5+

InChIKey:

GMKMEZVLHJARHF-SYDPRGILSA-O

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](CCC[CH]([NH3+])C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(CC(C(=O)O)[NH3+])CC(C(=O)O)N
CACTVS 3.341	N[C@@H](CCC[C@@H]([NH3+])C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(C[C@H](C(=O)O)[NH3+])C[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(CCCC(N)C(=O)O)[NH3+]

Name:

6-CARBOXYLYSINE

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).