CHEBI:200442 - Methoxycarboxylic acid 42

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ChEBI Name Methoxycarboxylic acid 42
ChEBI ID CHEBI:200442
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H15NO3S
Net Charge 0
Average Mass 241.310
Monoisotopic Mass 241.07726
InChI InChI=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
InChIKey MTNLUIZVDKCAMF-QBBOHKLWSA-N
SMILES S1C(=NC(=C1)/C=C(/[C@@H](OC)CC(=O)O)\C)C
Metabolite of Species Details
Sorangium cellulosum (NCBI:txid56) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
9921483 ChemSpider
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