MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(1R)-tetramethrin

	Properties	Image
MNX_ID	MNXM30462
reference	chebi:39399
formula	C₁₉H₂₅NO₄
global charge	0
mol weight	331.412
InChIKey	CXBMCYHAMVGWJQ-LOACHALJSA-N
InChI	InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14?,15-/m0/s1
SMILES	CC(C)=CC1[C@@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C

MNX internals

InChI (mnx)	InChI=1/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14?,15-/m0/s1
SMILES (mnx)	[CH3:1][C:11]([CH3:2])=[CH:9][CH:14]1[C@@H:15]([C:18](=[O:23])[O:24][CH2:10][N:20]2[C:16](=[O:21])[C:12]3=[C:13]([CH2:8][CH2:6][CH2:5][CH2:7]3)[C:17]2=[O:22])[C:19]1([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:39399 chebi:39399 CXBMCYHAMVGWJQ-LOACHALJSA-N	(1R)-tetramethrin (1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate tetramethrin [(1R)- isomers]
kegg.drug:D07368 keggD:D07368 CXBMCYHAMVGWJQ-UHFFFAOYSA-N	Tetramethrin (INN)
hmdb:HMDB0258915 CXBMCYHAMVGWJQ-UHFFFAOYSA-N	Tetramethrin (1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate 2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid, ester with N-(hydroxymethyl)-1-cyclo hexene 1,2-dicarboximide Neo-pynamin Neopinamin Neopinamine Neopynamin Phthalthrin tetramethrin
seed.compound:cpd19637 seedM:cpd19637 kegg.compound:C18373 keggC:C18373 CXBMCYHAMVGWJQ-UHFFFAOYSA-N	Tetramethrin Neo-pynamin Phthalthrin
CHEBI:39397 chebi:39397 CXBMCYHAMVGWJQ-UHFFFAOYSA-N	tetramethrin (1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate Neo-pynamin Neopinamin Phthalthrin
keggC:M_C18373 keggD:M_D07368 seedM:M_cpd19637	secondary/obsolete/fantasy identifier