4IF

cis-vaccenic acid

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

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count53
Aromatic Bond Count0
2D diagram of 4IF
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Chemical Component Summary

Namecis-vaccenic acid
Systematic Name (OpenEye OEToolkits)(~{Z})-octadec-11-enoic acid
FormulaC18 H34 O2
Molecular Weight282.461
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCCCCCC=CCCCCCCCCCC(O)=O
SMILESOpenEye OEToolkits2.0.7CCCCCCC=CCCCCCCCCCC(=O)O
Canonical SMILESCACTVS3.385 CCCCCC\C=C/CCCCCCCCCC(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CCCCCC/C=C\CCCCCCCCCC(=O)O
InChIInChI1.03 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-
InChIKeyInChI1.03 UWHZIFQPPBDJPM-FPLPWBNLSA-N

Drug Info: DrugBank

DrugBank IDDB04801 
Namecis-Vaccenic acid
Groups experimental
Synonyms
  • trans-11-Octadecensäure
  • Asclepic acid
  • cis-octadec-11-enoic acid
  • (Z)-11-octadecenoic acid
  • cis-Vaccenic acid
Categories
  • Fatty Acids
  • Fatty Acids, Monounsaturated
  • Fatty Acids, Unsaturated
  • Lipids
CAS number506-17-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Peroxisome proliferator-activated receptor deltaMEQPQEEAPEVREEEEKEEVAEAEGAPELNGGPQHALPSSSYTDLSRSSS...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

Related Resource References

Resource NameReference
PubChem 5282761
ChEMBL CHEMBL1236642
ChEBI CHEBI:50464