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BioLiP

PDB CCD ID: QIF
Number of entries in BioLiP: 1
Chemical formula: C7 H15 O9 P
InChI: InChI=1S/C7H15O9P/c1-7(11)6(10)5(9)4(8)3(16-7)2-15-17(12,13)14/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1
InChIKey: DFHDZDLZUMUBKN-ZFYZTMLRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01C1(C(C(O)C(C(COP(=O)(O)O)O1)O)O)(O)C
OpenEye OEToolkits 2.0.6CC1(C(C(C(C(O1)COP(=O)(O)O)O)O)O)O
CACTVS 3.385C[C@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.6C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O)O
Name:1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose;
1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulose;
1-deoxy-7-O-phosphono-D-gluco-hept-2-ulose;
1-deoxy-7-O-phosphono-gluco-hept-2-ulose
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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