IKT

3-(1-AMINOETHYL)NONANEDIOIC ACID

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

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count2
Bond Count36
Aromatic Bond Count0
2D diagram of IKT

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Chemical Component Summary

Name3-(1-AMINOETHYL)NONANEDIOIC ACID
Systematic Name (OpenEye OEToolkits)(3S)-3-[(1S)-1-aminoethyl]nonanedioic acid
FormulaC11 H21 N O4
Molecular Weight231.289
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CCCCCC(C(N)C)CC(=O)O
SMILESCACTVS3.341C[CH](N)[CH](CCCCCC(O)=O)CC(O)=O
SMILESOpenEye OEToolkits1.5.0CC(C(CCCCCC(=O)O)CC(=O)O)N
Canonical SMILESCACTVS3.341 C[C@H](N)[C@@H](CCCCCC(O)=O)CC(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N
InChIInChI1.03 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
InChIKeyInChI1.03 NHQUUILSXUJSSP-IUCAKERBSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02941 
Name3-(1-Aminoethyl)Nonanedioic Acid
Groups experimental
Synonyms3-(1-Aminoethyl)Nonanedioic Acid

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
ATP-dependent dethiobiotin synthetase BioD 1MSKRYFVTGTDTEVGKTVASCALLQAAKAAGYRTAGYKPVASGSEKTPEG...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 5497016