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BioLiP Library

PDB CCD ID: BMN
Number of entries in BioLiP: 0
Chemical formula: C16 H19 O7 P
InChI: InChI=1S/C16H19O7P/c1-21-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(23-15)9-22-24(18,19)20/h2-7,13,15-17H,8-9H2,1H3,(H2,18,19,20)/t13-,15+,16+/m0/s1
InChIKey: CYEAIBNOGXXKTF-NUEKZKHPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
ACDLabs 12.01O=P(O)(OCC3OC(c2cc1ccccc1cc2OC)CC3O)O
CACTVS 3.370COc1cc2ccccc2cc1[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
CACTVS 3.370COc1cc2ccccc2cc1[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.7.2COc1cc2ccccc2cc1C3CC(C(O3)COP(=O)(O)O)O
Name:(1R)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-erythro-pentitol
ZINC: ZINC000098208703
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)(download the PDF file).
  • 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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