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BioLiP Library

PDB CCD ID: ASI
Number of entries in BioLiP: 0
Chemical formula: C4 H6 N O4
InChI: InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h6H/q-1
InChIKey: CKLJMWTZIZZHCS-QKJHDDKEDV
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](CC(O)=O)C([O-])=O
ACDLabs 10.04[O-]C(=O)C(N)CC(=O)O
CACTVS 3.341N[CH](CC(O)=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(C(=O)[O-])N)C(=O)O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)[O-])N)C(=O)O
Name:L-ISO-ASPARTATE
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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