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BioLiP Library

PDB CCD ID: 10E
Number of entries in BioLiP: 4
Chemical formula: C5 H13 N O7 P2
InChI: InChI=1S/C5H13NO7P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2H,3-4,6H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+
InChIKey: SZAMOALLMIAULD-GORDUTHDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C/C(=C\COP(=O)(O)OP(=O)(O)O)/CN
ACDLabs 12.01O=P(O)(O)OP(=O)(OC\C=C(/C)CN)O
OpenEye OEToolkits 1.7.6CC(=CCOP(=O)(O)OP(=O)(O)O)CN
CACTVS 3.370CC(CN)=CCO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.370C\C(CN)=C/CO[P](O)(=O)O[P](O)(O)=O
Name:(2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate
ZINC: ZINC000098207908
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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