BioLiP

PDB

BioLiP

PDB CCD ID:

DNN

Number of entries in BioLiP:

Chemical formula:

C9 H20 N2 O2

InChI:

InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)/t7-,8+/m0/s1

InChIKey:

KCEGBPIYGIWCDH-JGVFFNPUSA-N

SMILES:

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

Name:

7,8-DIAMINO-NONANOIC ACID

DrugBank:

DB01715

ZINC:

ZINC000019364244

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).