BioLiP

PDB

BioLiP

PDB CCD ID:

3Q7

Number of entries in BioLiP:

Chemical formula:

C5 H11 As O2

InChI:

InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3

InChIKey:

SPTHHTGLGVZZRH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	[O-]C(=O)C[As+](C)(C)C
OpenEye OEToolkits 1.9.2	C[As+](C)(C)CC(=O)[O-]
CACTVS 3.385	C[As+](C)(C)CC([O-])=O

Name:

(trimethylarsonio)acetate

ChEMBL:

CHEMBL2448348

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).