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BioLiP

PDB CCD ID: EPO
Number of entries in BioLiP: 0
Chemical formula: C4 H4 O5
InChI: InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1
InChIKey: DCEMCPAKSGRHCN-JCYAYHJZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)[C@@H]1O[C@H]1C(O)=O
ACDLabs 12.01O=C(O)C1OC1C(=O)O
CACTVS 3.370OC(=O)[CH]1O[CH]1C(O)=O
OpenEye OEToolkits 1.7.0[C@@H]1(C(O1)C(=O)O)C(=O)O
OpenEye OEToolkits 1.7.0C1(C(O1)C(=O)O)C(=O)O
Name:(2R,3R)-oxirane-2,3-dicarboxylic acid
ZINC: ZINC000000901749
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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