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:17162 - 2-oxooctadecanoate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-oxooctadecanoate
ChEBI ID
CHEBI:17162
Definition
A 2-oxo monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of 2-oxooctadecanoic acid (stearic acid). The major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11645, CHEBI:19755
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C18H33O3
Net Charge
-1
Average Mass
297.454
Monoisotopic Mass
297.24352
InChI
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2-16H2,1H3,(H,20,21)/p-1
InChIKey
JUCAMRNDACLKGY-UHFFFAOYSA-M
SMILES
C(CCCCCCCC)CCCCCCCC(C([O-])=O)=O
ChEBI Ontology
Outgoing
2-oxooctadecanoate (
CHEBI:17162
)
has functional parent
octadecanoate (
CHEBI:25629
)
2-oxooctadecanoate (
CHEBI:17162
)
is a
2-oxo monocarboxylic acid anion (
CHEBI:35179
)
2-oxooctadecanoate (
CHEBI:17162
)
is conjugate base of
2-oxooctadecanoic acid (
CHEBI:30820
)
Incoming
2-oxooctadecanoic acid (
CHEBI:30820
)
is conjugate acid of
2-oxooctadecanoate (
CHEBI:17162
)
IUPAC Name
2-oxooctadecanoate
Synonyms
Sources
2-oxooctadecanoate
UniProt
2-oxostearate
ChEBI
Manual Xref
Database
C00869
KEGG COMPOUND
View more database links
Last Modified
25 June 2021