C11

UNDECYL-PHOSPHINIC ACID BUTYL ESTER

Created:	2001-10-29
Last modified:	2024-09-27

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2 entries where C11 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	50
Aromatic Bond Count	0

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Chemical Component Summary
Name	UNDECYL-PHOSPHINIC ACID BUTYL ESTER
Systematic Name (OpenEye OEToolkits)	1-butoxyphosphonoylundecane
Formula	C₁₅ H₃₃ O₂ P
Molecular Weight	276.395
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OCCCC)CCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCC[PH](=O)OCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCP(=O)OCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCC[P@H](=O)OCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCC[P@H](=O)OCCCC
InChI	InChI	1.03	InChI=1S/C15H33O2P/c1-3-5-7-8-9-10-11-12-13-15-18(16)17-14-6-4-2/h18H,3-15H2,1-2H3
InChIKey	InChI	1.03	QCBLJDSWVGAXQB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB02457
Name	Undecyl-Phosphinic Acid Butyl Ester
Groups	experimental
Synonyms	Undecyl-Phosphinic Acid Butyl Ester

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Gastric triacylglycerol lipase	MWLLLTMASLISVLGTTHGLFGKLHPGSPEVTMNISQMITYWGYPNEEYE...	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