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BioLiP

PDB CCD ID: X15
Number of entries in BioLiP: 1
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-/m1/s1
InChIKey: LJQLQCAXBUHEAZ-UWTATZPHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.6.1C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O
CACTVS 3.352O[C@H](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.6.1C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(O)C(=O)OP(=O)(O)O
Name:1,3-BISPHOSPHOGLYCERIC ACID
ZINC: ZINC000003869887
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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