BioLiP

PDB

BioLiP

PDB CCD ID:

OUK

Number of entries in BioLiP:

Chemical formula:

C7 H18 N3 O2

InChI:

InChI=1S/C7H17N3O2/c8-4-2-1-3-6(9)5-10-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/p+1/t6-/m0/s1

InChIKey:

PKUJRMQNFKAGAN-LURJTMIESA-O

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CCCC[NH3+])CNC(O)=O
OpenEye OEToolkits 2.0.6	C(CC[NH3+])C[C@@H](CNC(=O)O)N
OpenEye OEToolkits 2.0.6	C(CC[NH3+])CC(CNC(=O)O)N
CACTVS 3.385	N[CH](CCCC[NH3+])CNC(O)=O

Name:

[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium

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).