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BioLiP

PDB CCD ID: DG2
Number of entries in BioLiP: 15
Chemical formula: C3 H8 O10 P2
InChI: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
InChIKey: XOHUEYCVLUUEJJ-UWTATZPHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[C@@H](CO[P](O)(O)=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.5C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385OC(=O)[CH](CO[P](O)(O)=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.5C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O
Name:(2R)-2,3-diphosphoglyceric acid;
2,3-Bisphosphoglyceric acid;
2,3-bisphosphoglycerate;
2,3-BPG;
2,3-diphosphoglyceric acid;
2,3-diphosphoglycerate;
2,3-DPG;
(2~{R})-2,3-diphosphonooxypropanoic acid
ZINC: ZINC000003869234
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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