BioLiP

PDB

BioLiP

PDB CCD ID:

AHP

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1

InChIKey:

RDFMDVXONNIGBC-LURJTMIESA-N

SMILES:

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

Name:

2-AMINO-HEPTANOIC ACID

ChEMBL:

CHEMBL73530

ZINC:

ZINC000001570970

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).