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BioLiP

PDB CCD ID: 44H
Number of entries in BioLiP: 5
Chemical formula: C6 H15 O9 P
InChI: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
InChIKey: GACTWZZMVMUKNG-KVTDHHQDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C([C@H]([C@H]([C@@H](C(CO)O)O)O)O)OP(=O)(O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O
CACTVS 3.385OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)C(O)C(O)C(O)CO)(O)O
Name:D-Mannitol-1-phosphate;
1-O-phosphono-D-mannitol
ZINC: ZINC000003869812
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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