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BioLiP

PDB CCD ID: DER
Number of entries in BioLiP: 6
Chemical formula: C4 H9 O8 P
InChI: InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3+/m0/s1
InChIKey: ZCZXOHUILRHRQJ-STHAYSLISA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(=O)O
OpenEye OEToolkits 1.5.0C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@@H](CO[P](O)(O)=O)[C@@H](O)C(O)=O
Name:D-4-PHOSPHOERYTHRONIC ACID
DrugBank: DB01756
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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