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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1230191
CHEMBL1230191
Compound Name TRIPHOSPHATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula H5O10P3

Additional synonyms for CHEMBL1230191 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OP(=O)(O)OP(=O)(O)OP(=O)(O)O
Standard InChI InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2, ...
Download InChI
Standard InChI Key UNXRWKVEANCORM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1230191

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
258 257.9096 -0.69 4 170.82 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.7 - -3.56 -10.43 0 13 0.41

Structural Alerts

There are 7 structural alerts for CHEMBL1230191. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UNXRWKVEANCORM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1230191



ACToR 10380-08-2 8017-16-1
Brenda 4438 940 739
ChEBI 39949
DrugBank DB03896
EPA CompTox Dashboard DTXSID7047483
FDA SRS NU43IAG5BC
Human Metabolome Database HMDB0012282 HMDB0003379
KEGG Ligand C00536 C02174 C00404
Metabolights MTBLC39949
Nikkaji J236.802A
PDBe 3PO
PubChem 983
PubChem: Thomson Pharma 14774564
SureChEMBL SCHEMBL18714
ZINC ZINC000006827739

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