RCSB PDB - LDA Ligand Summary Page

Chemical Component Summary
Name	LAURYL DIMETHYLAMINE-N-OXIDE
Identifiers	N,N-dimethyldodecan-1-amine oxide
Formula	C₁₄ H₃₁ N O
Molecular Weight	229.402
Type	NON-POLYMER
Isomeric SMILES	CCCCCCCCCCCC[N+](C)(C)[O-]
InChI	InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
InChIKey	SYELZBGXAIXKHU-UHFFFAOYSA-N

Chemical Component Summary

Name

LAURYL DIMETHYLAMINE-N-OXIDE

Identifiers

N,N-dimethyldodecan-1-amine oxide

Formula

C₁₄ H₃₁ N O

Molecular Weight

229.402

Type

NON-POLYMER

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)[O-]

InChI

InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3

InChIKey

SYELZBGXAIXKHU-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	0

Chemical Details

Formal Charge

Atom Count

Chiral Atom Count

Bond Count

Aromatic Bond Count

Drug Info: DrugBank

DrugBank ID	DB04147 ?
Name	Dodecyldimethylamine N-oxide
Groups	experimental
Synonyms	Lauryldimethylamine oxide Lauramine oxide Lauryl dimethylamine-N-oxide Dodecyl(dimethyl)amine oxide Dodecyldimethylamine N-oxide n-Dodecyldimethylamine oxide Dimethyldodecylamine oxide lauryldimethylamine N-oxide Dodecyldimethylamine oxide Dimethylaurylamine oxide Dimethyldodecylamine N-oxide N,N-Dimethyldodecylamine oxide
Categories	Amines Compounds used in a research, industrial, or household setting Detergents Household Products Methylamines Surface-Active Agents
CAS number	1643-20-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Reaction center protein L chain	MALLSFERKYRVPGGTLVGGNLFDFWVGPFYVGFFGVATFFFAALGIILI...	unknown
Reaction center protein M chain	MAEYQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGP...	unknown
Reaction center protein H chain	MVGVTAFGNFDLASLAIYSFWIFLAGLIYYLQTENMREGYPLENEDGTPA...	unknown
Cytochrome c oxidase subunit 1-beta	MADAAVHGHGDHHDTRGFFTRWFMSTNHKDIGILYLFTAGIVGLISVCFT...	unknown
Cytochrome c oxidase subunit 2	MMAIATKRRGVAAVMSLGVATMTAVPALAQDVLGDLPVIGKPVNGGMNFQ...	unknown
Ig kappa chain V-I region Bi	DIQMTQSPSPLSASVGDSVTITCQASQDIRNSLIWYQQKPGKAPKFLIYD...	unknown
Ig heavy chain V-III region VH26	MEFGLSWLFLVAILKGVQCEVQLVESGGGLVQPGGSLRLSCAASGFTFSS...	unknown
Photosynthetic reaction center cytochrome c subunit	MKQLIVNSVATVALASLVAGCFEPPPATTTQTGFRGLSMGEVLHPATVKA...	unknown
Reaction center protein H chain	MYHGALAQHLDIAQLVWYAQWLVIWTVVLLYLRREDRREGYPLVEPLGLV...	unknown
Reaction center protein L chain	MALLSFERKYRVRGGTLIGGDLFDFWVGPYFVGFFGVSAIFFIFLGVSLI...	unknown
Reaction center protein M chain	MADYQTIYTQIQARGPHITVSGEWGDNDRVGKPFYSYWLGKIGDAQIGPI...	unknown
H subunit of photosynthetic reaction center complex	ITHYIDAAQITIWAFWLFFFGLIIYLRREDKREGYPLDSNRTERSGGRVK...	unknown
Destrin	MASGVQVADEVCRIFYDMKVRKCSTPEEIKKRKKAVIFCLSADKKCIIVE...	unknown
Rhodopsin	MNGTEGPNFYVPFSNATGVVRSPFEYPQYYLAEPWQFSMLAAYMFLLIVL...	unknown
Cytochrome c2	QEGDPEAGAKAFNQCQTCHVIVDDSGTTIAGRNAKTGPNLYGVVGRTAGT...	unknown
Nuclear factor erythroid 2-related factor 1	MLSLKKYLTEGLLQFTILLSLIGVRVDVDTYLTSQLPPLREIILGPSSAY...	unknown
Squalene--hopene cyclase	MAEQLVEAPAYARTLDRAVEYLLSCQKDEGYWWGPLLSNVTMEAEYVLLC...	unknown
Vitamin B12 transporter BtuB	MIKKASLLTACSVTAFSAWAQDTSPDTLVVTANRFEQPRSTVLAPTTVVT...	unknown
Colicin-E3	MSGGDGRGHNTGAHSTSGNINGGPTGLGVGGGASDGSGWSSENNPWGGGS...	unknown
Fe(3+)-pyochelin receptor	MKTETKVIKGRQGIARNRHTPLCLGLLLALSPLAAAVADARKDGETELPD...	unknown
Myelin P2 protein	MSNKFLGTWKLVSSENFDDYMKALGVGLATRKLGNLAKPTVIISKKGDII...	unknown
Outer membrane protein W	MKKLTVAALAVTTLLSGSAFAHEAGEFFMRAGSATVRPTEGAGGTLGSLG...	unknown
Light-harvesting protein B-800/850 alpha chain	MNQGKIWTVVNPAIGIPALLGSVTVIAILVHLAILSHTTWFPAYWQGGVK...	unknown
Light-harvesting protein B-800/850 beta chain	ATLTAEQSEELHKYVIDGTRVFLGLALVAHFLAFSATPWLH	unknown
Protein TonB	MTLDLPRRFPWPTLLSVCIHGAVVAGLLYTSVHQVIELPAPAQPISVTMV...	unknown
Colicin I receptor	MFRLNPFVRVGLCLSAISCAWPVLAVDDDGETMVVTASSVEQNLKDAPAS...	unknown
Colicin-Ia	MSDPVRITNPGAESLGYDSDGHEIMAVDIYVNPPRVDVFHGTPPAWSSFG...	unknown
Cofilin-1	MASGVAVSDGVIKVFNDMKVRKSSTPEEVKKRKKAVLFCLSEDKKNIILE...	unknown
Rhomboid protease GlpG	MLMITSFANPRVAQAFVDYMATQGVILTIQQHNQSDVWLADESQAERVRA...	unknown
Outer membrane protein G	MKKLLPCTALVMCAGMACAQAEERNDWHFNIGAMYEIENVEGYGEDMDGL...	unknown
Outer membrane usher protein PapC	MKDRIPFAVNNITCVILLSLFCNAASAVEFNTDVLDAADKKNIDFTRFSE...	unknown
Probable N-acetylneuraminic acid outer membrane channel protein NanC	MKKAKILSGVLLLCFSSPLISQAATLDVRGGYRSGSHAYETRLKVSEGWQ...	unknown
Reaction center protein H chain	MVGVTAFGNFDLASLAIYSFWIFLAGLIYYLQTENMREGYPLENEDGTPA...	unknown
Reaction center protein L chain	MALLSFERKYRVPGGTLVGGNLFDFWVGPFYVGFFGVATFFFAALGIILI...	unknown
Reaction center protein M chain	MAEYQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGP...	unknown
Outer membrane protein II	EVSRVKDAGTYKAQGGKSKTATQIADFGSKIGFKGQEDLGNGMKAIWQLE...	unknown
Cyclic nucleotide-gated potassium channel mll3241	MSVLPFLRIYAPLNAVLAAPGLLAVAALTIPDMSGRSRLALAALLAVIWG...	unknown
Ammonia channel	MKIATIKTGLASLAMLPGLVMAAPAVADKADNAFMMICTALVLFMTIPGI...	unknown
Penicillin-binding protein 2	MTENKGSSQPKKNGNNGGKSNSKKNRNVKRTIIKIIGFMIIAFFVVLLLG...	unknown
Dihydroorotate dehydrogenase (quinone), mitochondrial	MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLD...	unknown
TraO protein	MKKLLLSAVVLSVLGGAATNVMALEVGRNSPYDYRIKSVVYNPVNVVKID...	unknown
TraF protein	MARKSVDVDQELDENTGDGEFESERGGFNGSNRRSAPRMKAFVILMALLA...	unknown
TraN protein	MRSLLLMGVLLISACSSGHKPPPEPDWSNTVPVNKTIPVDTQGGRNES	unknown
Outer membrane porin, OprD family	MKPSTPPSYLLPSLLALALSSTALPALAAESGFLEDAQANLTLRNFYFNR...	unknown
Fe(3+) dicitrate transport protein FecA	MTPLRVFRKTTPLVNTIRLSLLPLAGLSFSAFAAQVNIAPGSLDKALNQY...	unknown
Long-chain fatty acid transport protein	MSQKTLFTKSALAVAVALISTQAWSAGFQLNEFSSSGLGRAYSGEGAIAD...	unknown
Lipid A palmitoyltransferase PagP	MNVSKYVAIFSFVFIQLISVGKVFANADEWMTTFRENIAQTWQQPEHYDL...	unknown
Acyl-CoA thioesterase 2	MSQALKNLLTLLNLEKIEEGLFRGQSEDLGLRQVFGGQVVGQALYAAKET...	unknown
Amine oxidase [flavin-containing] B	MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK...	unknown	ligand
Amine oxidase [flavin-containing] B	MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK...	unknown	ligand
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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