CHEBI:177727 - moiramide B

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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 moiramide B
ChEBI ID CHEBI:177727
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H31N3O5
Net Charge 0
Average Mass 453.539
Monoisotopic Mass 453.22637
InChI InChI=1S/C25H31N3O5/c1-5-6-8-13-19(29)26-18(17-11-9-7-10-12-17)14-20(30)27-22(15(2)3)23(31)21-16(4)24(32)28-25(21)33/h5-13,15-16,18,21-22H,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,32,33)/b6-5+,13-8+/t16-,18-,21+,22-/m0/s1
InChIKey WMLLJSBRSSYYPT-PQUJRENYSA-N
SMILES O=C([C@H]1[C@@H](C(=O)NC1=O)C)[C@@H](NC(=O)C[C@H](NC(=O)/C=C/C=C/C)C2=CC=CC=C2)C(C)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing moiramide B (CHEBI:177727) has functional parent β-amino acid (CHEBI:33706)
moiramide B (CHEBI:177727) is a organonitrogen compound (CHEBI:35352)
moiramide B (CHEBI:177727) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2E,4E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]hexa-2,4-dienamide
Manual Xrefs Databases
9919348 ChemSpider
YT5 PDBeChem
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