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BioLiP Library

PDB CCD ID: AKZ
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O4
InChI: InChI=1S/C4H9NO4/c5-2(4(8)9)1-3(6)7/h2,4,8-9H,1,5H2,(H,6,7)/t2-/m0/s1
InChIKey: LYEGQEPZJLIWSB-REOHCLBHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CC(N)C(O)O
OpenEye OEToolkits 1.7.0C(C(C(O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)O
Name:(3S)-3-amino-4,4-dihydroxybutanoic acid
ZINC: ZINC000098208661
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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