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BioLiP Library

PDB CCD ID: ASL
Number of entries in BioLiP: 0
Chemical formula: C7 H11 N O6
InChI: InChI=1S/C7H11NO6/c1-3(6(10)11)14-5(9)2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,10,11)(H,12,13)
InChIKey: CWUGTWXZZHPDGI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(OC(=O)CC(N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(C(=O)O)OC(=O)CC(C(=O)O)N
ACDLabs 12.01O=C(OC(C(=O)O)C)CC(C(=O)O)N
Name:ASPARTIC ACID-4-CARBOXYETHYL ESTER
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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