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CHEBI:200442 - Methoxycarboxylic acid 42

ChEBI IDCHEBI:200442
ChEBI NameMethoxycarboxylic acid 42
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H15NO3S
Net Charge0
Average Mass241.312
Monoisotopic Mass241.07726
SMILESCO[C@@H](CC(=O)O)/C(C)=C/c1csc(C)n1
InChIInChI=1S/C11H15NO3S/c1-7(10(15-3)5-11(13)14)4-9-6-16-8(2)12-9/h4,6,10H,5H2,1-3H3,(H,13,14)/b7-4+/t10-/m0/s1
InChIKeyMTNLUIZVDKCAMF-QBBOHKLWSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (11473410)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Methoxycarboxylic acid 42 (CHEBI:200442) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(E)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
Manual XrefsDatabases
9921483ChemSpider