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CHEBI:30850 - 3-propylmalic acid

ChEBI IDCHEBI:30850
ChEBI Name3-propylmalic acid
Stars
DefinitionA dicarboxylic acid that is malic acid in which one of the hydrogens at position 3 is substituted by a propyl group.
Secondary ChEBI IDsCHEBI:1663, CHEBI:20197
Last Modified22 February 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H12O5
Net Charge0
Average Mass176.168
Monoisotopic Mass176.06847
SMILESCCCC(C(=O)O)C(O)C(=O)O
InChIInChI=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)
InChIKeyLOLHYFQEDPGSHZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 acidChEBI
Manual XrefsDatabases
C02123KEGG COMPOUND