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BioLiP

PDB CCD ID: KOF
Number of entries in BioLiP: 8
Chemical formula: C10 H21 O12 P
InChI: InChI=1S/C10H21O12P/c11-1-6-8(15)9(16)10(22-6)20-2-4(12)7(14)5(13)3-21-23(17,18)19/h4-16H,1-3H2,(H2,17,18,19)/t4-,5+,6+,7-,8+,9+,10+/m0/s1
InChIKey: JWGOVVCXUKJSKW-DWMNMWHPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH]1O[CH](OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(O1)OCC(C(C(COP(=O)(O)O)O)O)O)O)O)O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@H]([C@@H](O1)OC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O
CACTVS 3.385OC[C@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)[C@H](O)[C@@H]1O
Name:beta-D-ribosyl-(1->
1)-D-ribitol-5-phosphate;
(2R,3S,4S)-5-(((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,3,4-trihydroxypentyl hydrogen phosphate
ZINC: ZINC000064634206
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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