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BioLiP Library

PDB CCD ID: ASK
Number of entries in BioLiP: 0
Chemical formula: C5 H9 N O3
InChI: InChI=1S/C5H9NO3/c1-3(7)4(6)2-5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
InChIKey: GLBZTEXOKUGEES-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)C(CC(=O)O)N
CACTVS 3.370CC(=O)[CH](N)CC(O)=O
CACTVS 3.370CC(=O)[C@@H](N)CC(O)=O
OpenEye OEToolkits 1.7.0CC(=O)[C@H](CC(=O)O)N
ACDLabs 12.01O=C(C)C(N)CC(=O)O
Name:DEHYDROXYMETHYLASPARTIC ACID;
ASPARTYLMETHANE
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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