24I

(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID

Created:	2005-11-09
Last modified:	2011-06-04

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1 entries where 24I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	2
Bond Count	37
Aromatic Bond Count	6

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Chemical Component Summary
Name	(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-[[hydroxy-[(4-iodophenyl)methyl]phosphoryl]methyl]pentanedioic acid
Formula	C₁₃ H₁₆ I O₆ P
Molecular Weight	426.141
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Ic1ccc(cc1)CP(=O)(O)CC(C(=O)O)CCC(=O)O
SMILES	CACTVS	3.341	OC(=O)CC[CH](C[P](O)(=O)Cc1ccc(I)cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CP(=O)(CC(CCC(=O)O)C(=O)O)O)I
Canonical SMILES	CACTVS	3.341	OC(=O)CC[C@H](C[P@](O)(=O)Cc1ccc(I)cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)I
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	PPTCQJLGUKWAEP-SNVBAGLBSA-N

Drug Info: DrugBank

DrugBank ID	DB06928
Name	(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID
Groups	experimental
Synonyms	(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glutamate carboxypeptidase 2	MWNLLHETDSAVATARRPRWLCAGALVLAGGFFLLGFLFGWFIKSSNEAT...	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