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BioLiP

PDB CCD ID: XDP
Number of entries in BioLiP: 15
Chemical formula: C5 H14 O12 P2
InChI: InChI=1S/C5H14O12P2/c6-3(1-16-18(10,11)12)4(7)5(8,9)2-17-19(13,14)15/h3-4,6-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+/m1/s1
InChIKey: XXHQHBUKQCAIGV-DMTCNVIQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)C(O)(O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)(O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C(C(C(C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@H](O)C(O)(O)CO[P](O)(O)=O
Name:D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE
ZINC: ZINC000016051392
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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