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BioLiP

PDB CCD ID: 0A0
Number of entries in BioLiP: 1
Chemical formula: C5 H9 N O4
InChI: InChI=1S/C5H9NO4/c1-5(6,4(9)10)2-3(7)8/h2,6H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKey: CWAYDJFPMMUKOI-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(CC(=O)O)(C(=O)O)N
CACTVS 3.341C[C@](N)(CC(O)=O)C(O)=O
CACTVS 3.341C[C](N)(CC(O)=O)C(O)=O
ACDLabs 10.04O=C(O)CC(N)(C(=O)O)C
OpenEye OEToolkits 1.5.0C[C@](CC(=O)O)(C(=O)O)N
Name:2-methyl-L-aspartic acid
ZINC: ZINC000002516276
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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