Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:173668 - 2-oxooctanoic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-oxooctanoic acid
ChEBI ID
CHEBI:173668
Definition
A 2-oxo monocarboxylic acid that is octanoic acid carrying an oxo group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
MetaboLights
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C8H14O3
Net Charge
0
Average Mass
158.197
Monoisotopic Mass
158.09429
InChI
InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)
InChIKey
GPPUPQFYDYLTIY-UHFFFAOYSA-N
SMILES
CCCCCCC(=O)C(O)=O
Roles Classification
Chemical Role
(s):
surfactant
A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-oxooctanoic acid (
CHEBI:173668
)
has functional parent
octanoic acid (
CHEBI:28837
)
2-oxooctanoic acid (
CHEBI:173668
)
has role
surfactant (
CHEBI:35195
)
2-oxooctanoic acid (
CHEBI:173668
)
is a
2-oxo monocarboxylic acid (
CHEBI:35910
)
2-oxooctanoic acid (
CHEBI:173668
)
is conjugate acid of
2-oxooctanoate (
CHEBI:176689
)
Incoming
2-oxooctanoate (
CHEBI:176689
)
is conjugate base of
2-oxooctanoic acid (
CHEBI:173668
)
IUPAC Name
2-oxooctanoic acid
Synonyms
Sources
2-keto-n-caprylic acid
LIPID MAPS
2-oxo-octanoic acid
LIPID MAPS
α-ketooctanoic acid
HMDB
2-oxocaprylic acid
ChEBI
Manual Xrefs
Databases
60921
ChemSpider
FDB029336
FooDB
HMDB0013211
HMDB
LMFA01060016
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1757862
Reaxys Registry Number
Reaxys
328-51-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19555185
PubMed citation
Europe PMC
24559493
PubMed citation
Europe PMC
25058475
PubMed citation
Europe PMC
29032688
PubMed citation
Europe PMC
29125663
PubMed citation
Europe PMC
29806009
PubMed citation
Europe PMC
30478262
PubMed citation
Europe PMC
33561341
PubMed citation
Europe PMC
Last Modified
05 July 2021