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BioLiP

PDB CCD ID: 3Q7
Number of entries in BioLiP: 2
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:
SoftwareSMILES
ACDLabs 12.01[O-]C(=O)C[As+](C)(C)C
OpenEye OEToolkits 1.9.2C[As+](C)(C)CC(=O)[O-]
CACTVS 3.385C[As+](C)(C)CC([O-])=O
Name:(trimethylarsonio)acetate
ChEMBL: CHEMBL2448348
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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