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BioLiP

PDB CCD ID: LER
Number of entries in BioLiP: 9
Chemical formula: C4 H8 O4
InChI: InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1
InChIKey: UQPHVQVXLPRNCX-VKHMYHEASA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(O)C(C(CO)O)=O
OpenEye OEToolkits 1.9.2C([C@@H](C(=O)CO)O)O
CACTVS 3.385OC[CH](O)C(=O)CO
OpenEye OEToolkits 1.9.2C(C(C(=O)CO)O)O
CACTVS 3.385OC[C@H](O)C(=O)CO
Name:L-Erythrulose;
(3S)-1,3,4-trihydroxybutan-2-one
ZINC: ZINC000000901231
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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