BioLiP

PDB

BioLiP

PDB CCD ID:

UN1

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4

InChI:

InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1

InChIKey:

OYIFNHCXNCRBQI-BYPYZUCNSA-N

SMILES:

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

Name:

2-AMINOHEXANEDIOIC ACID

ChEMBL:

CHEMBL88804

ZINC:

ZINC000001532798

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).