IKT

3-(1-AMINOETHYL)NONANEDIOIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where IKT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	2
Bond Count	36
Aromatic Bond Count	0

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Chemical Component Summary
Name	3-(1-AMINOETHYL)NONANEDIOIC ACID
Systematic Name (OpenEye OEToolkits)	(3S)-3-[(1S)-1-aminoethyl]nonanedioic acid
Formula	C₁₁ H₂₁ N O₄
Molecular Weight	231.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCCC(C(N)C)CC(=O)O
SMILES	CACTVS	3.341	C[CH](N)[CH](CCCCCC(O)=O)CC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(CCCCCC(=O)O)CC(=O)O)N
Canonical SMILES	CACTVS	3.341	C[C@H](N)[C@@H](CCCCCC(O)=O)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N
InChI	InChI	1.03	InChI=1S/C11H21NO4/c1-8(12)9(7-11(15)16)5-3-2-4-6-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
InChIKey	InChI	1.03	NHQUUILSXUJSSP-IUCAKERBSA-N

Drug Info: DrugBank

DrugBank ID	DB02941
Name	3-(1-Aminoethyl)Nonanedioic Acid
Groups	experimental
Synonyms	3-(1-Aminoethyl)Nonanedioic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
ATP-dependent dethiobiotin synthetase BioD 1	MSKRYFVTGTDTEVGKTVASCALLQAAKAAGYRTAGYKPVASGSEKTPEG...	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