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BioLiP Library

PDB CCD ID: DG4
Number of entries in BioLiP: 2
Chemical formula: C3 H8 O10 P2
InChI: InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m0/s1
InChIKey: LJQLQCAXBUHEAZ-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7C([C@@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O
CACTVS 3.385O[C@@H](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O
Name:phosphono (2S)-2-oxidanyl-3-phosphonooxy-propanoate;
glycerate 1,3-biphosphate
ZINC: ZINC000003869886
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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