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CHEBI:184005 - 3-oxazolidinecarboxylic acid, 2,2-dimethyl-4-(1-oxo-2-hexadecyn-1-yl)-, 1,1-dimethylethyl ester, (4s)-

ChEBI IDCHEBI:184005
ChEBI Name3-oxazolidinecarboxylic acid, 2,2-dimethyl-4-(1-oxo-2-hexadecyn-1-yl)-, 1,1-dimethylethyl ester, (4s)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H45NO4
Net Charge0
Average Mass435.649
Monoisotopic Mass435.33486
SMILESCCCCCCCCCCCCCC#CC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C26H45NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(28)22-21-30-26(5,6)27(22)24(29)31-25(2,3)4/h22H,7-18,21H2,1-6H3/t22-/m0/s1
InChIKeyYGBSGZPIDCXNEH-QFIPXVFZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Roles Classification
Biological Roles:
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor  A DNA polymerase inhibitor that interferes with the action of a DNA-directed DNA polymerase (EC 2.7.7.7).
mycotoxin  Poisonous substance produced by fungi.
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
3-oxazolidinecarboxylic acid, 2,2-dimethyl-4-(1-oxo-2-hexadecyn-1-yl)-, 1,1-dimethylethyl ester, (4s)- (CHEBI:184005) is a solanapyrone A (CHEBI:38229)
IUPAC Name 
tert-butyl (4S)-4-hexadec-2-ynoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Manual XrefsDatabases
9480098ChemSpider