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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:70747 - heptylmalonic acid
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ChEBI Name
heptylmalonic acid
ChEBI ID
CHEBI:70747
Definition
A dicarboxylic acid that is malonic acid substituted with a heptyl group at position C-2.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H18O4
Net Charge
0
Average Mass
202.24750
Monoisotopic Mass
202.12051
InChI
InChI=1S/C10H18O4/c1-2-3-4-5-6-7-8(9(11)12)10(13)14/h8H,2-7H2,1H3,(H,11,12)(H,13,14)
InChIKey
YSFZWUJOBANROZ-UHFFFAOYSA-N
SMILES
CCCCCCCC(C(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
heptylmalonic acid (
CHEBI:70747
)
has functional parent
malonic acid (
CHEBI:30794
)
heptylmalonic acid (
CHEBI:70747
)
has role
metabolite (
CHEBI:25212
)
heptylmalonic acid (
CHEBI:70747
)
is a
dicarboxylic acid (
CHEBI:35692
)
IUPAC Name
heptylpropanedioic acid
Synonyms
Sources
2-heptylmalonic acid
ChEBI
2-heptylpropanedioic acid
ChEBI
n-Heptylmalonic acid
ChemIDplus
Registry Numbers
Types
Sources
1777731
Reaxys Registry Number
Reaxys
760-54-3
CAS Registry Number
ChemIDplus
Citation
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
08 November 2012