CHEBI:187110 - Curacin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Curacin D
ChEBI ID CHEBI:187110
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000002560567
Download Molfile XML SDF
Formula C22H33NOS
Net Charge 0
Average Mass 359.570
Monoisotopic Mass 359.22829
InChI InChI=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
InChIKey SSJXRCYFOOLEKV-RDTKOLQBSA-N
SMILES S1C(=NC(C1)/C=C\CC\C=C\C=C\CCC(OC)CC=C)[C@]2([C@H](C2)C)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Manual Xref Database
8721795 ChemSpider
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