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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4676 - dodecanedioic acid
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ChEBI Name
dodecanedioic acid
ChEBI ID
CHEBI:4676
Definition
An α,ω-dicarboxylic acid that is dodecane in which the methyl groups have been oxidised to the corresponding carboxylic acids.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H22O4
Net Charge
0
Average Mass
230.30068
Monoisotopic Mass
230.15181
InChI
InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
InChIKey
TVIDDXQYHWJXFK-UHFFFAOYSA-N
SMILES
OC(=O)CCCCCCCCCCC(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in blood serum
(BTO:0000133)
. See:
MetaboLights Study
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):
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor
An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD
+
or NADP
+
acceptor) inhibitor that interferes with the action of alcohol dehydrogenase (EC 1.1.1.1).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dodecanedioic acid (
CHEBI:4676
)
has parent hydride
dodecane (
CHEBI:28817
)
dodecanedioic acid (
CHEBI:4676
)
has role
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor (
CHEBI:50269
)
dodecanedioic acid (
CHEBI:4676
)
has role
human metabolite (
CHEBI:77746
)
dodecanedioic acid (
CHEBI:4676
)
is a
α,ω-dicarboxylic acid (
CHEBI:28383
)
dodecanedioic acid (
CHEBI:4676
)
is a
dicarboxylic fatty acid (
CHEBI:189840
)
dodecanedioic acid (
CHEBI:4676
)
is conjugate acid of
dodecanedioate(2−) (
CHEBI:76273
)
Incoming
1,12-di-
L
-ascorbyl dodecanedioate (
CHEBI:59753
)
has functional parent
dodecanedioic acid (
CHEBI:4676
)
O
-dodecanedioylcarnitine (
CHEBI:74121
)
has functional parent
dodecanedioic acid (
CHEBI:4676
)
dodecanedioyl-CoA (
CHEBI:76339
)
has functional parent
dodecanedioic acid (
CHEBI:4676
)
dodecanedioate(2−) (
CHEBI:76273
)
is conjugate base of
dodecanedioic acid (
CHEBI:4676
)
IUPAC Name
dodecanedioic acid
Synonyms
Sources
1,10-decanedicarboxylic acid
ChemIDplus
1,10-dicarboxydecane
ChemIDplus
1,12-dodecanedioic acid
NIST Chemistry WebBook
decamethylenedicarboxylic acid
NIST Chemistry WebBook
Dodecanedioic acid
KEGG COMPOUND
Manual Xrefs
Databases
C02678
KEGG COMPOUND
CPD-10670
MetaCyc
DE102007054497
Patent
EP2389349
Patent
EP2407444
Patent
HMDB0000623
HMDB
KR20110125221
Patent
LMFA01170009
LIPID MAPS
WO2010085712
Patent
View more database links
Registry Numbers
Types
Sources
1782580
Reaxys Registry Number
Reaxys
261693
Gmelin Registry Number
Gmelin
693-23-2
CAS Registry Number
ChemIDplus
693-23-2
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
11544559
PubMed citation
Europe PMC
19222421
PubMed citation
Europe PMC
19428350
PubMed citation
Europe PMC
22242741
PubMed citation
Europe PMC
2302418
PubMed citation
Europe PMC
24166667
PubMed citation
Europe PMC
9591306
PubMed citation
Europe PMC
IND44425877
Agricola citation
Europe PMC
Last Modified
24 February 2022