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BioLiP

PDB CCD ID: HPD
Number of entries in BioLiP: 8
Chemical formula: C5 H13 O7 P
InChI: InChI=1S/C5H13O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+/m0/s1
InChIKey: YCHBTVQJICBXEI-CRCLSJGQSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)CCO
CACTVS 3.341OCC[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(CO)C(C(COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)O
CACTVS 3.341OCC[C@H](O)[C@H](O)CO[P](O)(O)=O
Name:1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE;
OPEN FORM OF 2'-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
DrugBank: DB04087
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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