EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211780 - JBIR-74

ChEBI IDCHEBI:211780
ChEBI NameJBIR-74
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16N4O2
Net Charge0
Average Mass248.286
Monoisotopic Mass248.12733
SMILESCC[C@H](C)[C@H]1NC(=O)/C(=C/c2cncn2)NC1=O
InChIInChI=1S/C12H16N4O2/c1-3-7(2)10-12(18)15-9(11(17)16-10)4-8-5-13-6-14-8/h4-7,10H,3H2,1-2H3,(H,13,14)(H,15,18)(H,16,17)/b9-4-/t7-,10+/m0/s1
InChIKeyNDEACPULNGPFLX-RVAOVDKHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20531435)
ChEBI Ontology
Outgoing Relation(s)
JBIR-74 (CHEBI:211780) has functional parent α-amino acid (CHEBI:33704)
JBIR-74 (CHEBI:211780) is a organonitrogen compound (CHEBI:35352)
JBIR-74 (CHEBI:211780) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6Z)-3-[(2S)-butan-2-yl]-6-(1H-imidazol-5-ylmethylidene)piperazine-2,5-dione
Manual XrefsDatabases
27024945ChemSpider