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> Main
CHEBI:28652 - 2-propylmalic acid
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ChEBI Name
2-propylmalic acid
ChEBI ID
CHEBI:28652
Definition
A dicarboxylic acid that is malic acid (2-hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by a propyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1270, CHEBI:19770, CHEBI:19771
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Formula
C7H12O5
Net Charge
0
Average Mass
176.16720
Monoisotopic Mass
176.06847
InChI
InChI=1S/C7H12O5/c1-2-3-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKey
KLURIVUFKOVPER-UHFFFAOYSA-N
SMILES
CCCC(O)(CC(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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-propylmalic acid (
CHEBI:28652
)
has functional parent
succinic acid (
CHEBI:15741
)
2-propylmalic acid (
CHEBI:28652
)
is a
2-hydroxy carboxylic acid (
CHEBI:52618
)
2-propylmalic acid (
CHEBI:28652
)
is a
3-hydroxy carboxylic acid (
CHEBI:61355
)
2-propylmalic acid (
CHEBI:28652
)
is a
dicarboxylic acid (
CHEBI:35692
)
Incoming
(
R
)-2-propylmalic acid (
CHEBI:27567
)
is a
2-propylmalic acid (
CHEBI:28652
)
IUPAC Name
2-hydroxy-2-propylbutanedioic acid
Synonyms
Sources
2-hydroxy-2-propylsuccinic acid
ChEBI
2-Propylmalate
KEGG COMPOUND
2-Propylmalic acid
KEGG COMPOUND
Malic acid, 2-propyl-
KEGG COMPOUND
Manual Xref
Database
C05994
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1779871
Reaxys Registry Number
Reaxys
Last Modified
04 August 2014