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CHEBI:217412 - Cereusitin A

ChEBI IDCHEBI:217412
ChEBI NameCereusitin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34N4O6
Net Charge0
Average Mass486.569
Monoisotopic Mass486.24783
SMILESCC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
InChIInChI=1S/C25H34N4O6/c1-14(2)8-18-24(34)28-12-16(30)11-21(28)23(33)27-19(9-15-6-4-3-5-7-15)25(35)29-13-17(31)10-20(29)22(32)26-18/h3-7,14,16-21,30-31H,8-13H2,1-2H3,(H,26,32)(H,27,33)/t16-,17-,18+,19+,20+,21+/m1/s1
InChIKeyIIYSUNCOHRYFBU-OFELHODLSA-N
Species of MetaboliteComponentSourceComments
Bacillus cereus (ncbitaxon:1396) - DOI (10.1016/j.tetlet.2017.01.002)
ChEBI Ontology
Outgoing Relation(s)
Cereusitin A (CHEBI:217412) has functional parent α-amino acid (CHEBI:33704)
Cereusitin A (CHEBI:217412) is a organonitrogen compound (CHEBI:35352)
Cereusitin A (CHEBI:217412) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S,8R,12S,15S,17R)-3-benzyl-8,17-dihydroxy-12-(2-methylpropyl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
Manual XrefsDatabases
61360273ChemSpider