BioLiP

PDB

BioLiP

PDB CCD ID:

HHK

Number of entries in BioLiP:

Chemical formula:

C8 H18 N2 O2

InChI:

InChI=1S/C8H18N2O2/c9-6-4-2-1-3-5-7(10)8(11)12/h7H,1-6,9-10H2,(H,11,12)/t7-/m0/s1

InChIKey:

KMPBBRFCAYFTMR-ZETCQYMHSA-N

SMILES:

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

Name:

(2S)-2,8-DIAMINOOCTANOIC ACID

DrugBank:

DB04486

ZINC:

ZINC000012504366

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).