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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:73728 - icosanedioic acid
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ChEBI Name
icosanedioic acid
ChEBI ID
CHEBI:73728
Definition
An α,ω-dicarboxylic acid that is the 1,18-dicarboxy derivative of octadecane.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C20H38O4
Net Charge
0
Average Mass
342.514
Monoisotopic Mass
342.27701
InChI
InChI=1S/C20H38O4/c21-
19(22)
17-
15-
13-
11-
9-
7-
5-
3-
1-
2-
4-
6-
8-
10-
12-
14-
16-
18-
20(23)
24/h1-
18H2,(H,21,22)
(H,23,24)
InChIKey
JJOJFIHJIRWASH-UHFFFAOYSA-N
SMILES
C(=O)(O)CCCCCCCCCCCCCCCCCCC(=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
icosanedioic acid (
CHEBI:73728
)
has parent hydride
icosane (
CHEBI:43619
)
icosanedioic acid (
CHEBI:73728
)
has role
metabolite (
CHEBI:25212
)
icosanedioic acid (
CHEBI:73728
)
is a
α,ω-dicarboxylic acid (
CHEBI:28383
)
icosanedioic acid (
CHEBI:73728
)
is conjugate acid of
icosanedioic acid anion (
CHEBI:133143
)
Incoming
icosanedioic acid anion (
CHEBI:133143
)
is conjugate base of
icosanedioic acid (
CHEBI:73728
)
IUPAC Name
icosanedioic acid
Synonyms
Sources
1,18-octadecanedicarboxylic acid
ChEBI
1,20-icosanedioic acid
ChEBI
eicosa-1,20-dioic acid
ChEBI
eicosanedioic acid
ChEBI
octadecane-1,18-dicarboxylic acid
ChEBI
Manual Xref
Database
LMFA01170035
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1799665
Reaxys Registry Number
Reaxys
2424-92-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
14670456
PubMed citation
Europe PMC
19783438
PubMed citation
Europe PMC
Last Modified
25 August 2016