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CHEBI:73621 - 3-methylthioaspartic acid

Default Structure
ChEBI IDCHEBI:73621
ChEBI Name3-methylthioaspartic acid
Stars
DefinitionA sulfur-containing amino acid that is L-aspartic acid substituted at position 3 by a methylthio group.
Last Modified6 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC5H9NO4S
Net Charge0
Average Mass179.197
Monoisotopic Mass179.02523
SMILESCSC(C(=O)O)[C@H](N)C(=O)O
InChIInChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3?/m0/s1
InChIKeyAOSGDBLMPHPJQU-SCQFTWEKSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-methylthioaspartic acid (CHEBI:73621) has functional parent 3-thio-L-aspartic acid (CHEBI:74653)
3-methylthioaspartic acid (CHEBI:73621) is a L-aspartic acid derivative (CHEBI:83978)
3-methylthioaspartic acid (CHEBI:73621) is a amino dicarboxylic acid (CHEBI:36164)
3-methylthioaspartic acid (CHEBI:73621) is a C4-dicarboxylic acid (CHEBI:66873)
3-methylthioaspartic acid (CHEBI:73621) is a methyl sulfide (CHEBI:86315)
3-methylthioaspartic acid (CHEBI:73621) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
3-methylthioaspartic acid (CHEBI:73621) is a sulfur-containing amino acid (CHEBI:26834)
3-methylthioaspartic acid (CHEBI:73621) is conjugate acid of 3-methylthioaspartate(1−) (CHEBI:73620)
Incoming Relation(s)
3-methylthioaspartate(1−) (CHEBI:73620) is conjugate base of 3-methylthioaspartic acid (CHEBI:73621)
3-methylthioaspartic acid residue (CHEBI:73619) is substituent group from 3-methylthioaspartic acid (CHEBI:73621)
IUPAC Name 
3-(methylsulfanyl)-L-aspartic acid
Synonyms  Source
3-(methylsulfanyl)aspartic acidChEBI
3-(methylthio)-L-aspartic acidChEBI
Registry NumbersSources
Reaxys:18571117Reaxys
Citations