EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:75712 - (S)-mecoprop

ChEBI IDCHEBI:75712
ChEBI Name(S)-mecoprop
Stars
ASCII Name(S)-mecoprop
DefinitionThe (S)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the inactive stereoisomer of the racemic herbicide mecoprop.
Last Modified24 September 2013
SubmitterSteve
DownloadsMolfile
FormulaC10H11ClO3
Net Charge0
Average Mass214.648
Monoisotopic Mass214.03967
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyWNTGYJSOUMFZEP-ZETCQYMHSA-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)
(S)-mecoprop (CHEBI:75712) is a 2-(4-chloro-2-methylphenoxy)propanoic acid (CHEBI:75704)
(S)-mecoprop (CHEBI:75712) is conjugate acid of (S)-2-(4-chloro-2-methylphenoxy)propanoate (CHEBI:75285)
(S)-mecoprop (CHEBI:75712) is enantiomer of (R)-mecoprop (CHEBI:75703)
Incoming Relation(s)
mecoprop (CHEBI:75711) has part (S)-mecoprop (CHEBI:75712)
(S)-2-(4-chloro-2-methylphenoxy)propanoate (CHEBI:75285) is conjugate base of (S)-mecoprop (CHEBI:75712)
(R)-mecoprop (CHEBI:75703) is enantiomer of (S)-mecoprop (CHEBI:75712)
Synonym  Source
(S)-MCPPChEBI
Registry NumbersSources
Reaxys:3201761Reaxys