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CHEBI:197592 - JBIR-82

ChEBI IDCHEBI:197592
ChEBI NameJBIR-82
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42N4O3
Net Charge0
Average Mass494.680
Monoisotopic Mass494.32569
SMILESCC(=O)NC(C(=O)N(C)C(CC(C)C)C(=O)N/C=C\c1c(CC=C(C)C)nc2ccccc12)C(C)C
InChIInChI=1S/C29H42N4O3/c1-18(2)13-14-25-23(22-11-9-10-12-24(22)32-25)15-16-30-28(35)26(17-19(3)4)33(8)29(36)27(20(5)6)31-21(7)34/h9-13,15-16,19-20,26-27,32H,14,17H2,1-8H3,(H,30,35)(H,31,34)/b16-15-
InChIKeyLZMGVEBBGAACEJ-NXVVXOECSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (20531436)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
JBIR-82 (CHEBI:197592) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[(2-acetamido-3-methylbutanoyl)-methylamino]-4-methyl-N-[(Z)-2-[2-(3-methylbut-2-enyl)-1H-indol-3-yl]ethenyl]pentanamide
Manual XrefsDatabases
27024996ChemSpider