4IF

cis-vaccenic acid

Created:	2021-07-27
Last modified:	2022-07-27

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1 entries where 4IF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	0

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Chemical Component Summary
Name	cis-vaccenic acid
Systematic Name (OpenEye OEToolkits)	(~{Z})-octadec-11-enoic acid
Formula	C₁₈ H₃₄ O₂
Molecular Weight	282.461
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCC=CCCCCCCCCCC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCC=CCCCCCCCCCC(=O)O
Canonical SMILES	CACTVS	3.385	CCCCCC\C=C/CCCCCCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCC/C=C\CCCCCCCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
InChIKey	InChI	1.03	UWHZIFQPPBDJPM-FPLPWBNLSA-N

Drug Info: DrugBank

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

DrugBank ID	DB04801
Name	cis-Vaccenic acid
Groups	experimental
Synonyms	cis-11-octadecenoic acid trans-11-Octadecensäure Asclepic acid (Z)-11-octadecenoic acid cis-octadec-11-enoic acid cis-Vaccenic acid (Z)-octadec-11-enoic acid
Categories	Fatty Acids Fatty Acids, Monounsaturated Fatty Acids, Unsaturated Lipids
CAS number	506-17-2

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
Peroxisome proliferator-activated receptor delta	MEQPQEEAPEVREEEEKEEVAEAEGAPELNGGPQHALPSSSYTDLSRSSS...	unknown	inhibitor

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