HTF

N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE

Created:	2005-09-14
Last modified:	2020-06-05

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2 entries where HTF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	0

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Chemical Component Summary
Name	N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE
Synonyms	N-OCTANOYL-L-HOMOSERINE LACTONE
Systematic Name (OpenEye OEToolkits)	N-[(3S)-2-oxooxolan-3-yl]octanamide
Formula	C₁₂ H₂₁ N O₃
Molecular Weight	227.3
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1OCCC1NC(=O)CCCCCCC
SMILES	CACTVS	3.341	CCCCCCCC(=O)N[CH]1CCOC1=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCC(=O)NC1CCOC1=O
Canonical SMILES	CACTVS	3.341	CCCCCCCC(=O)N[C@H]1CCOC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCC(=O)N[C@H]1CCOC1=O
InChI	InChI	1.03	InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey	InChI	1.03	JKEJEOJPJVRHMQ-JTQLQIEISA-N

Drug Info: DrugBank

DrugBank ID	DB07928
Name	N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE
Groups	experimental
Synonyms	N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Regulatory protein SdiA	MQDKDFFSWRRTMLLRFQRMETAEEVYHEIELQAQQLEYDYYSLCVRHPV...	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