C1F

3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC

Created:	2005-07-26
Last modified:	2011-06-04

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1 entries where C1F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	5

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Chemical Component Summary
Name	3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC
Systematic Name (OpenEye OEToolkits)	2-(2-carboxyethyl)-4-methyl-5-propyl-furan-3-carboxylic acid
Formula	C₁₂ H₁₆ O₅
Molecular Weight	240.252
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCc1oc(c(c1C(=O)O)C)CCC
SMILES	CACTVS	3.341	CCCc1oc(CCC(O)=O)c(C(O)=O)c1C
SMILES	OpenEye OEToolkits	1.5.0	CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C
Canonical SMILES	CACTVS	3.341	CCCc1oc(CCC(O)=O)c(C(O)=O)c1C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C
InChI	InChI	1.03	InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKey	InChI	1.03	WMCQWXZMVIETAO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07517
Name	3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC
Groups	experimental
Synonyms	3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Serum albumin	MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...	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