EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215257 - (R)-desferri-ferrithiocinmethylester

ChEBI IDCHEBI:215257
ChEBI Name(R)-desferri-ferrithiocinmethylester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2O4S
Net Charge0
Average Mass358.419
Monoisotopic Mass358.09873
SMILESC[C@@]1(C(=O)OCCc2ccc(O)cc2)CSC(c2ncccc2O)=N1
InChIInChI=1S/C18H18N2O4S/c1-18(11-25-16(20-18)15-14(22)3-2-9-19-15)17(23)24-10-8-12-4-6-13(21)7-5-12/h2-7,9,21-22H,8,10-11H2,1H3/t18-/m0/s1
InChIKeyMAGHMFIGCXZRQB-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31986449)
ChEBI Ontology
Outgoing Relation(s)
(R)-desferri-ferrithiocinmethylester (CHEBI:215257) is a alcohol (CHEBI:30879)
(R)-desferri-ferrithiocinmethylester (CHEBI:215257) is a phenols (CHEBI:33853)
IUPAC Name 
2-(4-hydroxyphenyl)ethyl (4R)-2-(3-hydroxypyridin-2-yl)-4-methyl-5H-1,3-thiazole-4-carboxylate