loading...| Preferred Name |
heptanoic acid |
|
| Synonyms |
heptanoic acid HEPTANOIC ACID CH3-[CH2]5-COOH n-heptylic acid heptylic acid n-heptoic acid n-heptanoic acid oenanthylic acid oenanthic acid heptoic acid Oenanthsaeure enanthylic acid enanthic acid Heptansaeure |
|
| 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 |
Reaxys:1744723 PDBeChem:SHV Beilstein:1744723 Wikipedia:Heptanoic_acid Gmelin:142428 DrugBank:DB02938 LIPID_MAPS_instance:LMFA01010007 MetaCyc:CPD-7619 PMID:23999410 KEGG:C17714 HMDB:HMDB0000666 CAS:111-14-8 |
|
| 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:45568 CHEBI:24519 |
|
| has_exact_synonym |
heptanoic acid HEPTANOIC ACID |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
CH3-[CH2]5-COOH n-heptylic acid heptylic acid n-heptoic acid n-heptanoic acid oenanthylic acid oenanthic acid heptoic acid Oenanthsaeure enanthylic acid enanthic acid Heptansaeure |
|
| 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 |
|
| mass |
130.18486 |
|
| monoisotopicmass |
130.09938 |
|
| notation |
CHEBI:45571 |
|
| prefLabel |
heptanoic acid |
|
| smiles |
CCCCCCC(O)=O |
|
| treeView | ||
| subClassOf |