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HEPTANOIC ACID



Chemical Component Summary

NameHEPTANOIC ACID
Identifiersheptanoic acid
FormulaC7 H14 O2
Molecular Weight130.185
TypeNON-POLYMER
Isomeric SMILESCCCCCCC(=O)O
InChIInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKeyMNWFXJYAOYHMED-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count22
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02938 
NameHeptanoic acid
Groups
  • investigational
  • experimental
Synonyms
  • Heptylic acid
  • Heptoic acid
  • Heptanoic acid
  • Oenanthic acid
  • n-Heptanoic acid
CAS number111-14-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Phospholipase A2MKLLVLAVLLTVAAADSGISPRAVWQFRKMIKCVIPGSDPFLEYNNYGCY...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 8094, 135372455
ChEMBL CHEMBL320358
ChEBI CHEBI:45571
CCDC/CSD BAGKAV10, ZIJXAT, WADMAS, ISESAA, LUNZEZ, VEVZED, ISENOJ, UXOBIT
COD 7103926, 7050147, 7206425