HPN

HEPTANAMIDE

Created:	2003-02-13
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where HPN is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	HEPTANAMIDE
Systematic Name (OpenEye OEToolkits)	heptanamide
Formula	C₇ H₁₅ N O
Molecular Weight	129.2
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N)CCCCCC
SMILES	CACTVS	3.341	CCCCCCC(N)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCC(=O)N
Canonical SMILES	CACTVS	3.341	CCCCCCC(N)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCC(=O)N
InChI	InChI	1.03	InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)
InChIKey	InChI	1.03	AEDIXYWIVPYNBI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02641
Name	Heptanamide
Groups	experimental
Synonyms	Heptanamide
CAS number	628-62-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Limonene-1,2-epoxide hydrolase	MTSKIEQPRWASKDSAAGAASTPDEKIVLEFMDALTSNDAAKLIEYFAED...	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