BioLiP

PDB

BioLiP

PDB CCD ID:

XC0

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O2

InChI:

InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1

InChIKey:

AKVBCGQVQXPRLD-ZETCQYMHSA-N

SMILES:

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

Name:

(2S)-2-aminooctanoic acid

ZINC:

ZINC000001570971

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).