DSD

7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID

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

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count2
Bond Count35
Aromatic Bond Count0
2D diagram of DSD
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Chemical Component Summary

Name7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID
Systematic Name (OpenEye OEToolkits)(7R,8S)-8-amino-7-(carboxyamino)nonanoic acid
FormulaC10 H20 N2 O4
Molecular Weight232.277
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)CCCCCC(NC(=O)O)C(N)C
SMILESCACTVS3.341C[CH](N)[CH](CCCCCC(O)=O)NC(O)=O
SMILESOpenEye OEToolkits1.5.0CC(C(CCCCCC(=O)O)NC(=O)O)N
Canonical SMILESCACTVS3.341 C[C@H](N)[C@@H](CCCCCC(O)=O)NC(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N
InChIInChI1.03 InChI=1S/C10H20N2O4/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14/h7-8,12H,2-6,11H2,1H3,(H,13,14)(H,15,16)/t7-,8+/m0/s1
InChIKeyInChI1.03 OQNJZSIPDMTUAJ-JGVFFNPUSA-N

Drug Info: DrugBank

DrugBank IDDB03624 
Name7-(Carboxyamino)-8-Amino-Nonanoic Acid
Groups experimental
Synonyms7-(Carboxyamino)-8-Amino-Nonanoic Acid

Drug Targets

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 444640