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BioLiP

PDB CCD ID: N52
Number of entries in BioLiP: 1
Chemical formula: C5 H11 O8 P
InChI: InChI=1S/C5H11O8P/c1-3(6)5(9,4(7)8)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t5-/m0/s1
InChIKey: IYNPDRWOJYWTNN-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)[C@@](O)(CO[P](O)(O)=O)C(O)O
ACDLabs 12.01O=P(O)(O)OCC(O)(C(O)O)C(C)=O
OpenEye OEToolkits 2.0.7CC(=O)C(COP(=O)(O)O)(C(O)O)O
CACTVS 3.385CC(=O)[C](O)(CO[P](O)(O)=O)C(O)O
Name:(2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate
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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