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CHEBI:211697 - WS75624 A

ChEBI IDCHEBI:211697
ChEBI NameWS75624 A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N2O5S
Net Charge0
Average Mass380.466
Monoisotopic Mass380.14059
SMILESCOc1cc(C(=O)O)nc(-c2csc(CCCCC(C)(C)O)n2)c1OC
InChIInChI=1S/C18H24N2O5S/c1-18(2,23)8-6-5-7-14-19-12(10-26-14)15-16(25-4)13(24-3)9-11(20-15)17(21)22/h9-10,23H,5-8H2,1-4H3,(H,21,22)
InChIKeyXAJOGJGSQJPCNH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (7490208)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
WS75624 A (CHEBI:211697) is a pyridinemonocarboxylic acid (CHEBI:26420)
IUPAC Name 
6-[2-(5-hydroxy-5-methylhexyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboxylic acid
Manual XrefsDatabases
8105409ChemSpider