CHEBI:75285 - (S)-2-(4-chloro-2-methylphenoxy)propanoate

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ChEBI Name (S)-2-(4-chloro-2-methylphenoxy)propanoate
ChEBI ID CHEBI:75285
ChEBI ASCII Name (S)-2-(4-chloro-2-methylphenoxy)propanoate
Definition A monocarboxylic acid anion that is the conjugate base of (S)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C10H10ClO3
Net Charge -1
Average Mass 213.63800
Monoisotopic Mass 213.03240
InChI InChI=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)/p-1/t7-/m0/s1
InChIKey WNTGYJSOUMFZEP-ZETCQYMHSA-M
SMILES C[C@H](Oc1ccc(Cl)cc1C)C([O-])=O
ChEBI Ontology
Outgoing (S)-2-(4-chloro-2-methylphenoxy)propanoate (CHEBI:75285) is a monocarboxylic acid anion (CHEBI:35757)
(S)-2-(4-chloro-2-methylphenoxy)propanoate (CHEBI:75285) is conjugate base of (S)-mecoprop (CHEBI:75712)
(S)-2-(4-chloro-2-methylphenoxy)propanoate (CHEBI:75285) is enantiomer of (R)-2-(4-chloro-2-methylphenoxy)propanoate (CHEBI:75284)
Incoming (S)-mecoprop (CHEBI:75712) is conjugate acid of (S)-2-(4-chloro-2-methylphenoxy)propanoate (CHEBI:75285)
(R)-2-(4-chloro-2-methylphenoxy)propanoate (CHEBI:75284) is enantiomer of (S)-2-(4-chloro-2-methylphenoxy)propanoate (CHEBI:75285)
IUPAC Name
(2S)-2-(4-chloro-2-methylphenoxy)propanoate
Synonyms Sources
(2S)-2-(4-chloro-2-methylphenoxy)propionate ChEBI
(S)-2-(4-chloro-2-methylphenoxy)propanoate UniProt
Manual Xref Database
CPD-15724 MetaCyc
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Last Modified
24 September 2013