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:68453 - 2-ethyloctanedioic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-ethyloctanedioic acid
ChEBI ID
CHEBI:68453
Definition
An α,ω-dicarboxylic acid that is suberic (octanedioic) acid bearing an ethyl substituent at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
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
C10H18O4
Net Charge
0
Average Mass
202.24750
Monoisotopic Mass
202.12051
InChI
InChI=1S/C10H18O4/c1-2-8(10(13)14)6-4-3-5-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)
InChIKey
WUDDSDIHJHPJRP-UHFFFAOYSA-N
SMILES
CCC(CCCCCC(O)=O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-ethyloctanedioic acid (
CHEBI:68453
)
has functional parent
suberic acid (
CHEBI:9300
)
2-ethyloctanedioic acid (
CHEBI:68453
)
has role
metabolite (
CHEBI:25212
)
2-ethyloctanedioic acid (
CHEBI:68453
)
is a
α,ω-dicarboxylic acid (
CHEBI:28383
)
IUPAC Name
2-ethyloctanedioic acid
Synonym
Source
2-ethylsuberic acid
ChEBI
Registry Numbers
Types
Sources
1778835
Reaxys Registry Number
Reaxys
3971-33-3
CAS Registry Number
ChemIDplus
Citation
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
24 October 2012