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CHEBI:187110 - Curacin D

ChEBI IDCHEBI:187110
ChEBI NameCuracin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33NOS
Net Charge0
Average Mass359.579
Monoisotopic Mass359.22829
SMILES[H][C@@]1(C2=NC(/C=C\CC/C=C/C=C/CCC(CC=C)OC)CS2)C[C@@H]1C
InChIInChI=1S/C22H33NOS/c1-4-13-20(24-3)15-12-10-8-6-5-7-9-11-14-19-17-25-22(23-19)21-16-18(21)2/h4-6,8,10-11,14,18-21H,1,7,9,12-13,15-17H2,2-3H3/b6-5+,10-8+,14-11-/t18-,19?,20?,21+/m0/s1
InChIKeySSJXRCYFOOLEKV-RDTKOLQBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Curacin D (CHEBI:187110) is a heterocyclic compound (CHEBI:5686)
Curacin D (CHEBI:187110) is a organonitrogen compound (CHEBI:35352)
Curacin D (CHEBI:187110) is a organosulfur compound (CHEBI:33261)
IUPAC Name 
4-[(1Z,5E,7E)-11-methoxytetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
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