loading...| Preferred Name |
HEPTANOIC ACID |
|
| Synonyms |
HEPTANOIC ACID heptanoic acid oenanthylic acid enanthylic acid n-heptoic acid oenanthic acid CH3-[CH2]5-COOH Heptansaeure enanthic acid n-heptanoic acid n-heptylic acid Oenanthsaeure heptoic acid heptylic acid |
|
| Definitions |
A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_45571 |
|
| charge |
0 |
|
| database_cross_reference |
HMDB:HMDB0000666 Wikipedia:Heptanoic_acid LIPID_MAPS_instance:LMFA01010007 Beilstein:1744723 KEGG:C17714 Gmelin:142428 MetaCyc:CPD-7619 PMID:23999410 Reaxys:1744723 PDBeChem:SHV CAS:111-14-8 DrugBank:DB02938 |
|
| definition |
A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. |
|
| formula |
C7H14O2 |
|
| has role | ||
| has_alternative_id |
CHEBI:24519 CHEBI:45568 |
|
| has_exact_synonym |
HEPTANOIC ACID heptanoic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
oenanthylic acid enanthylic acid n-heptoic acid oenanthic acid CH3-[CH2]5-COOH Heptansaeure enanthic acid n-heptanoic acid n-heptylic acid Oenanthsaeure heptoic acid heptylic acid |
|
| has_RxCUI |
991260 |
|
| id |
CHEBI:45571 |
|
| in_subset | ||
| inchi |
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) |
|
| inchikey |
MNWFXJYAOYHMED-UHFFFAOYSA-N |
|
| is conjugate acid of | ||
| label |
HEPTANOIC ACID heptanoic acid |
|
| mass |
130.18486 |
|
| monoisotopicmass |
130.09938 |
|
| notation |
CHEBI:45571 |
|
| prefLabel |
HEPTANOIC ACID |
|
| smiles |
CCCCCCC(O)=O |
|
| subClassOf |