BioLiP

PDB

BioLiP

PDB CCD ID:

ZS8

Number of entries in BioLiP:

Chemical formula:

C11 H19 N O2

InChI:

InChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1

InChIKey:

IEDCXEQAWYUWSL-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC#CCCCCC[C](C)(N)C(O)=O
OpenEye OEToolkits 2.0.4	CC#CCCCCCC(C)(C(=O)O)N
OpenEye OEToolkits 2.0.4	CC#CCCCCC[C@@](C)(C(=O)O)N
ACDLabs 12.01	NC(C(=O)O)(C)CCCCCC#CC
CACTVS 3.385	CC#CCCCCC[C@](C)(N)C(O)=O

Name:

(2S)-2-amino-2-methyldec-8-ynoic acid

ZINC:

ZINC000584905720

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).