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BioLiP

PDB CCD ID: M7B
Number of entries in BioLiP: 2
Chemical formula: C7 H15 O10 P
InChI: InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1
InChIKey: SDADNVAZGVDAIM-ZUHYCWGWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)(O)O
ACDLabs 12.01O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O
OpenEye OEToolkits 1.7.6C(C(C1C(C(C(C(O1)O)O)O)O)O)OP(=O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.370O[C@H](CO[P](O)(O)=O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
Name:7-O-phosphono-D-glycero-beta-D-manno-heptopyranose;
7-O-phosphono-D-glycero-beta-D-manno-heptose;
7-O-phosphono-D-glycero-D-manno-heptose;
7-O-phosphono-D-glycero-manno-heptose
ZINC: ZINC000004097441
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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