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CHEBI:227325 - WS75624 B

ChEBI IDCHEBI:227325
ChEBI NameWS75624 B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N2O5S
Net Charge0
Average Mass380.466
Monoisotopic Mass380.14059
SMILESCOc1cc(C(=O)O)nc(-c2csc(CCCCC[C@H](C)O)n2)c1OC
InChIInChI=1S/C18H24N2O5S/c1-11(21)7-5-4-6-8-15-19-13(10-26-15)16-17(25-3)14(24-2)9-12(20-16)18(22)23/h9-11,21H,4-8H2,1-3H3,(H,22,23)/t11-/m0/s1
InChIKeyRGHLFUKUTGFTCO-NSHDSACASA-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 B (CHEBI:227325) is a pyridinemonocarboxylic acid (CHEBI:26420)
IUPAC Name 
6-[2-(6-hydroxyheptyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboxylic acid
Manual XrefsDatabases
8127425ChemSpider