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BioLiP Library

PDB CCD ID: AAC
Number of entries in BioLiP: 3
Chemical formula: C4 H7 N O3
InChI: InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChIKey: OKJIRPAQVSHGFK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NCC(=O)O
ACDLabs 10.04O=C(NCC(=O)O)C
CACTVS 3.341CC(=O)NCC(O)=O
Name:ACETYLAMINO-ACETIC ACID
ChEMBL: CHEMBL289004
DrugBank: DB02713
ZINC: ZINC000001683660
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)(download the PDF file).
  • 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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