EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216013 - Sinulariapeptide E

ChEBI IDCHEBI:216013
ChEBI NameSinulariapeptide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22N2O3
Net Charge0
Average Mass290.363
Monoisotopic Mass290.16304
SMILESC[C@H]([C@@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C1=O)[C@@H](C)O
InChIInChI=1S/C16H22N2O3/c1-10(11(2)19)14-16(21)18(3)13(15(20)17-14)9-12-7-5-4-6-8-12/h4-8,10-11,13-14,19H,9H2,1-3H3,(H,17,20)/t10-,11+,13+,14-/m0/s1
InChIKeyINKLEHBIDANLJD-UNJBNNCHSA-N
Species of MetaboliteComponentSourceComments
Simplicillium (ncbitaxon:292631) - PubMed (30006088)
ChEBI Ontology
Outgoing Relation(s)
Sinulariapeptide E (CHEBI:216013) has functional parent α-amino acid (CHEBI:33704)
Sinulariapeptide E (CHEBI:216013) is a organonitrogen compound (CHEBI:35352)
Sinulariapeptide E (CHEBI:216013) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6R)-6-benzyl-3-[(2R,3R)-3-hydroxybutan-2-yl]-1-methylpiperazine-2,5-dione
Manual XrefsDatabases
78442203ChemSpider