CHEBI:217858 - Rubrumline O

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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 Rubrumline O
ChEBI ID CHEBI:217858
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H23N3O2
Net Charge 0
Average Mass 325.412
Monoisotopic Mass 325.17903
InChI InChI=1S/C19H23N3O2/c1-5-19(3,4)22-11-13(14-8-6-7-9-16(14)22)10-15-18(24)20-12(2)17(23)21-15/h5-9,11-12,15H,1,10H2,2-4H3,(H,20,24)(H,21,23)/t12-,15-/m0/s1
InChIKey RGJOYRGQGOLRLW-WFASDCNBSA-N
SMILES O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)N(C2)C(C=C)(C)C)C
Metabolite of Species Details
Aspergillus ruber (NCBI:txid396024) See: PubMed
ChEBI Ontology
Outgoing Rubrumline O (CHEBI:217858) has functional parent α-amino acid (CHEBI:33704)
Rubrumline O (CHEBI:217858) is a organonitrogen compound (CHEBI:35352)
Rubrumline O (CHEBI:217858) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6S)-3-methyl-6-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]piperazine-2,5-dione
Manual Xref Database
40256792 ChemSpider
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