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CHEBI:202569 - Rubrumline G

ChEBI IDCHEBI:202569
ChEBI NameRubrumline G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H35N3O5
Net Charge0
Average Mass469.582
Monoisotopic Mass469.25767
SMILESC=CC(C)(C)c1nc2ccc(C[C@H](OC(C)=O)C(C)(C)O)cc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C26H35N3O5/c1-8-25(4,5)22-18(13-20-24(32)27-14(2)23(31)29-20)17-11-16(9-10-19(17)28-22)12-21(26(6,7)33)34-15(3)30/h8-11,14,20-21,28,33H,1,12-13H2,2-7H3,(H,27,32)(H,29,31)/t14-,20-,21-/m0/s1
InChIKeyMOKDBBWSLJPCNA-WVFSVQOHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (25681711)
ChEBI Ontology
Outgoing Relation(s)
Rubrumline G (CHEBI:202569) has functional parent α-amino acid (CHEBI:33704)
Rubrumline G (CHEBI:202569) is a organonitrogen compound (CHEBI:35352)
Rubrumline G (CHEBI:202569) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2S)-3-hydroxy-3-methyl-1-[2-(2-methylbut-3-en-2-yl)-3-[[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]methyl]-1H-indol-5-yl]butan-2-yl] acetate
Manual XrefsDatabases
40256786ChemSpider