ISP

PHOSPHORYLISOPROPANE

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count16
Aromatic Bond Count0
2D diagram of ISP
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Chemical Component Summary

NamePHOSPHORYLISOPROPANE
Systematic Name (OpenEye OEToolkits)propan-2-yl dihydrogen phosphate
FormulaC3 H9 O4 P
Molecular Weight140.075
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(O)OC(C)C
SMILESCACTVS3.341CC(C)O[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0CC(C)OP(=O)(O)O
Canonical SMILESCACTVS3.341 CC(C)O[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChIKeyInChI1.03 QPPQHRDVPBTVEV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03976 
NamePhosphorylisopropane
Groups experimental
SynonymsPhosphorylisopropane

Drug Targets

NameTarget SequencePharmacological ActionActions
Trypsin-2MNLLLILTFVAAAVAAPFDDDDKIVGGYICEENSVPYQVSLNSGYHFCGG...unknown
Chymotrypsinogen BMAFLWLLSCWALLGTTFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVS...unknown
Trypsin-1MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGG...unknown
Capsid scaffolding proteinMVQAPSVYVCGFVERPDAPPKDACLHLDPLTVKSQLPLKKPLPLTVEHLP...unknown
CholinesteraseMHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFG...unknownligand
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 15391
ChEMBL CHEMBL144888
ChEBI CHEBI:44052
CCDC/CSD WEJKUU, WEJLAB
COD 7228825