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BioLiP

PDB CCD ID: 5XU
Number of entries in BioLiP: 0
Chemical formula: C3 H7 N O
InChI: InChI=1S/C3H7NO/c1-3(4)2-5/h2-3H,4H2,1H3/t3-/m0/s1
InChIKey: QPMCUNAXNMSGTK-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@H](N)C=O
OpenEye OEToolkits 2.0.4CC(C=O)N
OpenEye OEToolkits 2.0.4C[C@@H](C=O)N
CACTVS 3.385C[CH](N)C=O
Name:(2~{S})-2-azanylpropanal;
Ala-aldehyde
ZINC: ZINC000006020341
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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