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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:30850 - 3-propylmalic acid
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ChEBI Name
3-propylmalic acid
ChEBI ID
CHEBI:30850
Definition
A dicarboxylic acid that is malic acid in which one of the hydrogens at position 3 is substituted by a propyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1663, CHEBI:20197
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Formula
C7H12O5
Net Charge
0
Average Mass
176.16718
Monoisotopic Mass
176.06847
InChI
InChI=1S/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKey
LOLHYFQEDPGSHZ-UHFFFAOYSA-N
SMILES
CCCC(C(O)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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-propylmalic acid (
CHEBI:30850
)
has functional parent
succinic acid (
CHEBI:15741
)
3-propylmalic acid (
CHEBI:30850
)
is a
2-hydroxy carboxylic acid (
CHEBI:52618
)
3-propylmalic acid (
CHEBI:30850
)
is a
3-hydroxy carboxylic acid (
CHEBI:61355
)
3-propylmalic acid (
CHEBI:30850
)
is a
dicarboxylic fatty acid (
CHEBI:189840
)
3-propylmalic acid (
CHEBI:30850
)
is conjugate acid of
3-propylmalate(2−) (
CHEBI:15594
)
Incoming
3-propylmalate(2−) (
CHEBI:15594
)
is conjugate base of
3-propylmalic acid (
CHEBI:30850
)
IUPAC Name
2-hydroxy-3-propylbutanedioic acid
Synonym
Source
3-propylmalic acid
ChEBI
Manual Xref
Database
C02123
KEGG COMPOUND
View more database links
Last Modified
22 February 2024