Chemical Component Summary

NameHEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER
Identifiershexyl-[(2S)-2-methyl-3-phenyl-propoxy]phosphinic acid
FormulaC16 H27 O3 P
Molecular Weight298.358
TypeNON-POLYMER
Isomeric SMILESCCCCCC[P@@](=O)(O)OC[C@@H](C)Cc1ccccc1
InChIInChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyMMTDYBZZRYOMFD-HNNXBMFYSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count2
Bond Count47
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB06966 
NameHexylphosphonic acid (S)-2-methyl-3-phenylpropyl ester
Groups experimental
SynonymsHexylphosphonic acid (S)-2-methyl-3-phenylpropyl ester

Drug Targets

NameTarget SequencePharmacological ActionActions
LipaseMARTMRSRVVAGAVACAMSIAPFAGTTAVMTLATTHAAMAATAPAAGYAA...unknown
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 4369426