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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL343480
CHEMBL343480
Compound Name DIMETHYLALLYL DIPHOSPHATE
ChEMBL Synonyms Dimethylallyl Pyrophosphate
Max Phase 0
Trade Names
Molecular Formula C5H12O7P2

Additional synonyms for CHEMBL343480 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCOP(=O)(O)OP(=O)(O)O)C
Standard InChI InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2 ...
Download InChI
Standard InChI Key CBIDRCWHNCKSTO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL343480

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
246.1 246.0058 1.18 5 113.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.08 - -.42 -5.66 0 14 0.49

Structural Alerts

There are 10 structural alerts for CHEMBL343480. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CBIDRCWHNCKSTO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL343480



ACToR 358-72-5
Brenda 30763 112067 44726 161162 157 4666 20236 127354
ChEBI 16057
DrugBank DB01785
EPA CompTox Dashboard DTXSID70189331
Human Metabolome Database HMDB0001120
IBM Patent System CBA92AA4844D75C0D75E27CF22064C39 2E63917D2A0FB31F5A62AB8C9ADF9A5A
KEGG Ligand C00235
LipidMaps LMPR01010001
Metabolights MTBLC16057
Nikkaji J39.581A
PDBe DMA
PubChem 647
PubChem: Thomson Pharma 14847589
SureChEMBL SCHEMBL153577
ZINC ZINC000008215740

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CBIDRCWHNCKSTO-UHFFFAOYSA-N spacer
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