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BioLiP

PDB CCD ID: X1P
Number of entries in BioLiP: 3
Chemical formula: C5 H11 O8 P
InChI: InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1
InChIKey: ILXHFXFPPZGENN-KKQCNMDGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)OP(=O)(O)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O[P](O)(O)=O)[C@H](O)[C@H]1O
ACDLabs 10.04O=P(OC1OCC(O)C(O)C1O)(O)O
Name:1-O-phosphono-alpha-D-xylopyranose;
1-O-phosphono-alpha-D-xylose;
1-O-phosphono-D-xylose;
1-O-phosphono-xylose
ChEMBL: CHEMBL1236752
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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