C15

N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE

Created:	2002-05-28
Last modified:	2011-06-04

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28 entries where C15 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	60
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	0

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Chemical Component Summary
Name	N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE
Systematic Name (OpenEye OEToolkits)	dodecyl-dimethyl-(3-sulfopropyl)azanium
Formula	C₁₇ H₃₈ N O₃ S
Molecular Weight	336.554
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)CCC[N+](C)(CCCCCCCCCCCC)C
SMILES	CACTVS	3.341	CCCCCCCCCCCC[N+](C)(C)CCC[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCC[N+](C)(C)CCC[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3/p+1
InChIKey	InChI	1.03	IZWSFJTYBVKZNK-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank ID	DB02643
Name	N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate
Groups	experimental
Synonyms	N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate
Categories	Amines Ammonium Compounds Compounds used in a research, industrial, or household setting Detergents Household Products Nitrogen Compounds Onium Compounds Surface-Active Agents

Drug Targets

Name	Target Sequence	Pharmacological Action
Insulin-like growth factor I	MGKISSLPTQLFKCCFCDFLKVKMHTMSSSHLFYLALCLLTFTSSATAGP...	unknown
Amine oxidase [flavin-containing] B	MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK...	unknown
Penton protein	MQRAAMYEEGPPPSYESVVSAAPVAAALGSPFDAPLDPPFVPPRYLRPTG...	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