BioLiP

PDB

BioLiP

PDB CCD ID:

4WQ

Number of entries in BioLiP:

Chemical formula:

C10 H21 N O2

InChI:

InChI=1S/C10H21NO2/c1-10(2,3)7-5-4-6-8(11)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)/t8-/m0/s1

InChIKey:

LDROFNYSJLCCKR-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC(C)(C)CCCCC(C(=O)O)N
OpenEye OEToolkits 1.9.2	CC(C)(C)CCCC[C@@H](C(=O)O)N
ACDLabs 12.01	NC(C(=O)O)CCCCC(C)(C)C
CACTVS 3.385	CC(C)(C)CCCC[C@H](N)C(O)=O
CACTVS 3.385	CC(C)(C)CCCC[CH](N)C(O)=O

Name:

(2S)-2-amino-7,7-dimethyloctanoic 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).