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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL356362
CHEMBL356362
Compound Name ISOPENTENYLPYROPHOSPHATE
ChEMBL Synonyms Isopentenylpyrophosphate | Isopentenyl Pyrophosphate
Max Phase 0
Trade Names
Molecular Formula C5H12O7P2

Additional synonyms for CHEMBL356362 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)CCOP(=O)(O)OP(=O)(O)O
Standard InChI InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H ...
Download InChI
Standard InChI Key NUHSROFQTUXZQQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL356362

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 6 113.29 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 - -.48 -5.71 0 14 0.48

Structural Alerts

There are 11 structural alerts for CHEMBL356362. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NUHSROFQTUXZQQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL356362



ACToR 358-71-4
Brenda 164433 113285 113
ChEBI 16584
DrugBank DB04714
eMolecules 31230713
Guide to Pharmacology 3048
Human Metabolome Database HMDB0001347
IBM Patent System CA96C1A3F5095C72BF867D18E9F4780A
KEGG Ligand C00129
LipidMaps LMPR01010008
Metabolights MTBLC16584
Nikkaji J38.556E
PDBe IPE
PubChem 1195
PubChem: Thomson Pharma 15465272
SureChEMBL SCHEMBL125521
ZINC ZINC000008215654

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