Preferred Name |
octanoic acid |
|
Synonyms |
Octanoic acid octanoic acid OCTANOIC ACID (CAPRYLIC ACID) Octylic acid Acidum octanocium acidum octanoicum n-octanoic acid acide octanoique n-caprylic acid Octansaeure octoic acid 1-heptanecarboxylic acid Acido octanoico 8:0 CH3-[CH2]6-COOH Caprylic acid n-octylic acid C8:0 n-octoic acid acido octanoico Acide octanoique Kaprylsaeure |
|
Definitions |
A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_28837 |
|
charge |
0 |
|
database_cross_reference |
KEGG:D05220 PDBeChem:OCA Drug_Central:3998 KNApSAcK:C00001231 MetaCyc:CPD-195 PMID:19096058 PMID:16162522 DrugBank:DB04519 LIPID_MAPS_instance:LMFA01010008 PMID:16872526 Reaxys:1747180 KEGG:C06423 Wikipedia:Caprylic_acid Gmelin:142966 HMDB:HMDB0000482 CAS:124-07-2 Beilstein:1747180 |
|
definition |
A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. |
|
formula |
C8H16O2 |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_33282 |
|
has_alternative_id |
CHEBI:25648 CHEBI:3373 CHEBI:44501 |
|
has_exact_synonym |
Octanoic acid octanoic acid |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
OCTANOIC ACID (CAPRYLIC ACID) Octylic acid Acidum octanocium acidum octanoicum n-octanoic acid acide octanoique n-caprylic acid Octansaeure octoic acid 1-heptanecarboxylic acid Acido octanoico 8:0 CH3-[CH2]6-COOH Caprylic acid n-octylic acid C8:0 n-octoic acid acido octanoico Acide octanoique Kaprylsaeure octanoic acid |
|
id |
CHEBI:28837 |
|
in_subset | ||
inchi |
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) |
|
inchikey |
WWZKQHOCKIZLMA-UHFFFAOYSA-N |
|
is conjugate acid of | ||
label |
octanoic acid |
|
mass |
144.21140 |
|
monoisotopicmass |
144.11503 |
|
notation |
CHEBI:28837 |
|
prefLabel |
octanoic acid |
|
smiles |
CCCCCCCC(O)=O |
|
treeView | ||
subClassOf |