BioLiP

PDB

BioLiP

PDB CCD ID:

1E3

Number of entries in BioLiP:

Chemical formula:

C9 H20 N2 O2

InChI:

InChI=1S/C9H20N2O2/c10-7-5-3-1-2-4-6-8(11)9(12)13/h8H,1-7,10-11H2,(H,12,13)/t8-/m0/s1

InChIKey:

KEBGMMXWUKWKGB-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NCCCCCCC[CH](N)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CCCCCCCN
OpenEye OEToolkits 1.7.6	C(CCC[C@@H](C(=O)O)N)CCCN
CACTVS 3.370	NCCCCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6	C(CCCC(C(=O)O)N)CCCN

Name:

(2S)-2,9-diaminononanoic acid

ZINC:

ZINC000098207957

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).