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CHEBI:217817 - Rubrumline C

ChEBI IDCHEBI:217817
ChEBI NameRubrumline C
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SubmitterMetaboLights
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FormulaC26H33N3O5
Net Charge0
Average Mass467.566
Monoisotopic Mass467.24202
SMILESC=CC(C)(C)c1nc2ccc(C[C@H](OC(C)=O)C(C)(C)O)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C26H33N3O5/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/h8-11,13-14,21,28,33H,1,12H2,2-7H3,(H,27,32)(H,29,31)/b20-13-/t14-,21-/m0/s1
InChIKeyVESAPIJMLQTAHA-SCICNIQYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (25681711)
ChEBI Ontology
Outgoing Relation(s)
Rubrumline C (CHEBI:217817) has functional parent α-amino acid (CHEBI:33704)
Rubrumline C (CHEBI:217817) is a organonitrogen compound (CHEBI:35352)
Rubrumline C (CHEBI:217817) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2S)-3-hydroxy-3-methyl-1-[2-(2-methylbut-3-en-2-yl)-3-[(Z)-[(5S)-5-methyl-3,6-dioxopiperazin-2-ylidene]methyl]-1H-indol-5-yl]butan-2-yl] acetate
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40256782ChemSpider