BioLiP

PDB

BioLiP

PDB CCD ID:

A1ALE

Number of entries in BioLiP:

Chemical formula:

C9 H18 N2 O3

InChI:

InChI=1S/C9H18N2O3/c1-11(2)8(12)6-4-3-5-7(10)9(13)14/h7H,3-6,10H2,1-2H3,(H,13,14)/t7-/m0/s1

InChIKey:

PZGZIGICAVVNEB-ZETCQYMHSA-N

SMILES:

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

Name:

(2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid

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).