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CHEBI:222761 - Muscoride A

ChEBI IDCHEBI:222761
ChEBI NameMuscoride A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40N4O5
Net Charge0
Average Mass512.651
Monoisotopic Mass512.29987
SMILESC=CC(C)(C)NC(C(=O)N1CCCC1c1nc(-c2nc(C(=O)OCC=C(C)C)c(C)o2)c(C)o1)C(C)C
InChIInChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
InChIKeyPFXJYHPNSWNJBP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Desmonostoc muscorum (ncbitaxon:1179) - DOI (10.1016/0040-4039(95)00724-q)
ChEBI Ontology
Outgoing Relation(s)
Muscoride A (CHEBI:222761) is a valine derivative (CHEBI:27267)
IUPAC Name 
3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
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