NON

METHYL NONANOATE (ESTER)

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

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2 entries where NON is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	0

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Chemical Component Summary
Name	METHYL NONANOATE (ESTER)
Systematic Name (OpenEye OEToolkits)	methyl nonanoate
Formula	C₁₀ H₂₀ O₂
Molecular Weight	172.265
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC)CCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCC(=O)OC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCC(=O)OC
Canonical SMILES	CACTVS	3.341	CCCCCCCCC(=O)OC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCC(=O)OC
InChI	InChI	1.03	InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChIKey	InChI	1.03	IJXHLVMUNBOGRR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01631
Name	Methyl nonanoate
Groups	experimental
Synonyms	Methyl nonylate Methyl n-nonanoate Methyl pelargonate Pelargonic acid methyl ester Methyl nonanoate Methyl ester nonanoic acid
CAS number	1731-84-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Ig gamma-1 chain C region	ASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGV...	unknown
Neutrophil gelatinase-associated lipocalin	MPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGK...	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