IP8

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Summary

Name:Isopentenyl phosphate
Synonyms:3-methylbut-3-en-1-yl dihydrogen phosphate
Formula:C5 H11 O4 P
Formal charge:0
Molecular weight:166.112 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-methylbut-3-en-1-yl dihydrogen phosphate
OpenEye OEToolkits1.7.63-methylbut-3-enyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OCCC(=C)\C)(O)O
InChIInChI1.03InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)
InChIKeyInChI1.03QMZRXYCCCYYMHF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CC(=C)CCO[P](O)(O)=O
SMILESCACTVS3.370CC(=C)CCO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=C)CCOP(=O)(O)O
SMILESOpenEye OEToolkits1.7.6CC(=C)CCOP(=O)(O)O
169117
PDB entries from 2020-09-23