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BioLiP

PDB CCD ID: Y7D
Number of entries in BioLiP: 1
Chemical formula: C8 H18 O7 P2
InChI: InChI=1S/C8H18O7P2/c1-3-4-5-8(2)6-7-14-17(12,13)15-16(9,10)11/h6H,3-5,7H2,1-2H3,(H,12,13)(H2,9,10,11)/b8-6-
InChIKey: UIWSLTUOMNESGZ-VURMDHGXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCC(=CCOP(=O)(O)OP(=O)(O)O)C
OpenEye OEToolkits 2.0.7CCCC/C(=C\COP(=O)(O)OP(=O)(O)O)/C
CACTVS 3.385CCCCC(/C)=C\CO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.385CCCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)OP(O)(=O)OC\C=C(\C)CCCC
Name:(2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate
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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