TRT

FRAGMENT OF TRITON X-100

Created:	2003-06-27
Last modified:	2020-06-05

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25 entries where TRT is found as a standalone ligand1 entries where TRT is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	0
Bond Count	61
Aromatic Bond Count	6

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Chemical Component Summary
Name	FRAGMENT OF TRITON X-100
Synonyms	1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE
Systematic Name (OpenEye OEToolkits)	1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2,4,4-trimethylpentan-2-yl)benzene
Formula	C₂₁ H₃₆ O₄
Molecular Weight	352.508
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC
SMILES	CACTVS	3.341	COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC
Canonical SMILES	CACTVS	3.341	COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC
InChI	InChI	1.03	InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3
InChIKey	InChI	1.03	HEUDUECKTWTQQR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02080
Name	1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene
Groups	experimental
Synonyms	1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene

Drug Targets

Name	Target Sequence	Pharmacological Action
Phospholipase A2, membrane associated	MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGV...	unknown
Signal peptidase I	MANMFALILVIATLVTGILWCVDKFFFAPKRRERQAAAQAAAGDSLDKAT...	unknown
Alpha-tocopherol transfer protein	MAEARSQPSAGPQLNALPDHSPLLQPGLAALRRRAREAGVPLAPLPLTDS...	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