Preferred Name |
octanoic acid |
|
Synonyms |
octanoic acid Octanoic acid Acide octanoique Octylic acid n-octoic acid n-caprylic acid acido octanoico 1-heptanecarboxylic acid OCTANOIC ACID (CAPRYLIC ACID) acidum octanoicum Octansaeure Kaprylsaeure acide octanoique n-octylic acid Caprylic acid Acidum octanocium octoic acid CH3-[CH2]6-COOH Acido octanoico n-octanoic acid 8:0 C8:0 |
|
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A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group.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 |
LIPID_MAPS_instance:LMFA01010008 HMDB:HMDB0000482 Beilstein:1747180 PMID:19096058 Gmelin:142966 DrugBank:DB04519 PMID:16162522 PDBeChem:OCA Reaxys:1747180 Wikipedia:Caprylic_acid KEGG:C06423 KEGG:D05220 MetaCyc:CPD-195 Drug_Central:3998 CAS:124-07-2 PMID:16872526 KNApSAcK:C00001231 |
|
formula |
C8H16O2 |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_33282 |
|
has_alternative_id |
CHEBI:25648 CHEBI:44501 CHEBI:3373 |
|
has_exact_synonym |
octanoic acid Octanoic acid |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Acide octanoique Octylic acid n-octoic acid n-caprylic acid octanoic acid acido octanoico 1-heptanecarboxylic acid OCTANOIC ACID (CAPRYLIC ACID) acidum octanoicum Octansaeure Kaprylsaeure acide octanoique n-octylic acid Caprylic acid Acidum octanocium octoic acid CH3-[CH2]6-COOH Acido octanoico n-octanoic acid 8:0 C8:0 |
|
has_RxCUI |
20178 |
|
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 |
|
prefixIRI |
CHEBI:28837 |
|
prefLabel |
octanoic acid |
|
smiles |
CCCCCCCC(O)=O |
|
textual 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A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group.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. |
|
subClassOf |