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BioLiP

PDB CCD ID: Y2A
Number of entries in BioLiP: 5
Chemical formula: C6 H9 O10 P
InChI: InChI=1S/C6H9O10P/c7-3(8)1-6(12,5(10)11)2-4(9)16-17(13,14)15/h12H,1-2H2,(H,7,8)(H,10,11)(H2,13,14,15)/t6-/m0/s1
InChIKey: RAAPFOXFYNTKEB-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C[C@](O)(CC(=O)O[P](O)(O)=O)C(O)=O
ACDLabs 12.01C(C(CC(=O)OP(O)(O)=O)(C(=O)O)O)C(O)=O
OpenEye OEToolkits 2.0.7C(C(=O)O)C(CC(=O)OP(=O)(O)O)(C(=O)O)O
CACTVS 3.385OC(=O)C[C](O)(CC(=O)O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(C(=O)O)[C@](CC(=O)OP(=O)(O)O)(C(=O)O)O
Name:(2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid
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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