BioLiP

PDB

BioLiP

PDB CCD ID:

MZT

Number of entries in BioLiP:

Chemical formula:

C8 H18 N O2

InChI:

InChI=1S/C8H17NO2/c1-7(9(2,3)4)5-6-8(10)11/h7H,5-6H2,1-4H3/p+1/t7-/m1/s1

InChIKey:

RXHVPPWXTMHWGY-SSDOTTSWSA-O

SMILES:

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

Name:

4-(Trimethylammonio)pentanoic acid

ZINC:

ZINC000098209198

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).