EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:134530 - 2-(ω-methylthio)alkylmalic acid

ChEBI IDCHEBI:134530
ChEBI Name2-(ω-methylthio)alkylmalic acid
Stars
ASCII Name2-(omega-methylthio)alkylmalic acid
DefinitionA 2-hydroxydicarboxylic acid that is any 2-alkylmalic acid in which one of the terminal methyl hydrogens has been replaced by a methylthio group.
Last Modified15 February 2017
SubmitterSteve
DownloadsMolfile
Formula(CH2)n.C6H10O5S
Net Charge0
Average Mass208.235
Monoisotopic Mass208.04054
SMILESCSCCC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C7H12O5S/c1-13-3-2-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyFZNWJRXTACKOPU-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)
2-(ω-methylthio)alkylmalic acid (CHEBI:134530) has functional parent malic acid (CHEBI:6650)
2-(ω-methylthio)alkylmalic acid (CHEBI:134530) is a 2-hydroxydicarboxylic acid (CHEBI:50263)
2-(ω-methylthio)alkylmalic acid (CHEBI:134530) is a methyl sulfide (CHEBI:86315)
2-(ω-methylthio)alkylmalic acid (CHEBI:134530) is a sulfur-containing carboxylic acid (CHEBI:33576)
2-(ω-methylthio)alkylmalic acid (CHEBI:134530) is a tertiary alcohol (CHEBI:26878)
2-(ω-methylthio)alkylmalic acid (CHEBI:134530) is conjugate acid of 2-(ω-methylthio)alkylmalate(2−) (CHEBI:133494)
Incoming Relation(s)
2-(2-methylthioethyl)malic acid (CHEBI:50261) is a 2-(ω-methylthio)alkylmalic acid (CHEBI:134530)
2-(3-methylthiopropyl)malic acid (CHEBI:50262) is a 2-(ω-methylthio)alkylmalic acid (CHEBI:134530)
2-(ω-methylthio)alkylmalate(2−) (CHEBI:133494) is conjugate base of 2-(ω-methylthio)alkylmalic acid (CHEBI:134530)
IUPAC Name 
α-(methylsulfanyl)-ω-(2,3-dicarboxy-2-hydroxypropyl)polymethylene
Synonym  Source
2-(ω-methylthio)alkylmalic acidsChEBI
Manual XrefsDatabases
CPD-19482MetaCyc