BioLiP

PDB

BioLiP

PDB CCD ID:

AN8

Number of entries in BioLiP:

Chemical formula:

C9 H19 N O2

InChI:

InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1

InChIKey:

JVPFOKXICYJJSC-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CCCCCCCC(C(=O)O)N
CACTVS 3.370	CCCCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.2	CCCCCCC[C@@H](C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)CCCCCCC
CACTVS 3.370	CCCCCCC[C@H](N)C(O)=O

Name:

(2S)-2-aminononanoic acid

ZINC:

ZINC000001570978

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).