CHEBI:211972 - Rufomyzaine

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ChEBI Name Rufomyzaine
ChEBI ID CHEBI:211972
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H31N3O2
Net Charge 0
Average Mass 381.520
Monoisotopic Mass 381.24163
InChI InChI=1S/C23H31N3O2/c1-7-23(4,5)26-14-16(17-10-8-9-11-19(17)26)13-18-22(28)25(6)20(12-15(2)3)21(27)24-18/h7-11,14-15,18,20H,1,12-13H2,2-6H3,(H,24,27)/t18-,20-/m0/s1
InChIKey FSZDKCYBRSEERX-ICSRJNTNSA-N
SMILES O=C1N([C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)N(C2)C(C=C)(C)C)CC(C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Rufomyzaine (CHEBI:211972) has functional parent α-amino acid (CHEBI:33704)
Rufomyzaine (CHEBI:211972) is a organonitrogen compound (CHEBI:35352)
Rufomyzaine (CHEBI:211972) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6S)-1-methyl-3-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-6-(2-methylpropyl)piperazine-2,5-dione