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BioLiP

PDB CCD ID: 5SP
Number of entries in BioLiP: 9
Chemical formula: C5 H11 O8 P
InChI: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1
InChIKey: FNZLKVNUWIIPSJ-RFZPGFLSSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(OCC(O)C(O)C(=O)CO)(O)O
OpenEye OEToolkits 1.7.0C(C(C(C(=O)CO)O)O)OP(=O)(O)O
CACTVS 3.370OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.370OCC(=O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O
Name:5-O-phosphono-D-xylulose;
D-xylulose 5-phosphate
DrugBank: DB04034
ZINC: ZINC000030320708
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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