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BioLiP Library

PDB CCD ID: ASA
Number of entries in BioLiP: 0
Chemical formula: C4 H7 N O3
InChI: InChI=1S/C4H7NO3/c5-3(2-6)1-4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1
InChIKey: CGJJPOYORMGCGE-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](CC(O)=O)C=O
CACTVS 3.370N[C@@H](CC(O)=O)C=O
ACDLabs 12.01O=CC(N)CC(=O)O
OpenEye OEToolkits 1.7.0C(C(C=O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C=O)N)C(=O)O
Name:ASPARTIC ALDEHYDE
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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