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BioLiP

PDB CCD ID: DE2
Number of entries in BioLiP: 1
Chemical formula: C4 H8 O3
InChI: InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h4-5,7H,2H2,1H3/t4-/m0/s1
InChIKey: SEYLPRWNVFCVRQ-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)[CH](O)CO
CACTVS 3.385CC(=O)[C@@H](O)CO
OpenEye OEToolkits 1.7.6CC(=O)[C@H](CO)O
OpenEye OEToolkits 1.7.6CC(=O)C(CO)O
ACDLabs 12.01O=C(C)C(O)CO
Name:1-deoxy-L-erythrulose
ZINC: ZINC000013517393
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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