Chemical Component Summary

Name(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID
Identifiers(2S)-2-[[hydroxy-[(4-iodophenyl)methyl]phosphoryl]methyl]pentanedioic acid
FormulaC13 H16 I O6 P
Molecular Weight426.141
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)I
InChIInChI=1S/C13H16IO6P/c14-11-4-1-9(2-5-11)7-21(19,20)8-10(13(17)18)3-6-12(15)16/h1-2,4-5,10H,3,6-8H2,(H,15,16)(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyPPTCQJLGUKWAEP-SNVBAGLBSA-N

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count2
Bond Count37
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB06928 
Name(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID
Groups experimental
Synonyms(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
Glutamate carboxypeptidase 2MWNLLHETDSAVATARRPRWLCAGALVLAGGFFLLGFLFGWFIKSSNEAT...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 6102781