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BioLiP

PDB CCD ID: A33
Number of entries in BioLiP: 2
Chemical formula: C6 H9 N O6
InChI: InChI=1S/C6H9NO6/c7-6(5(12)13,1-3(8)9)2-4(10)11/h1-2,7H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey: ZJBWCVAEGNLETQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)C(CC(=O)O)(C(=O)O)N
CACTVS 3.341NC(CC(O)=O)(CC(O)=O)C(O)=O
ACDLabs 10.04O=C(O)CC(N)(C(=O)O)CC(=O)O
Name:2-(carboxymethyl)-D-aspartic acid
ChEMBL: CHEMBL1187596
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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