EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217711 - Eutypellazine R

ChEBI IDCHEBI:217711
ChEBI NameEutypellazine R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N2O3S2
Net Charge0
Average Mass400.525
Monoisotopic Mass400.09153
SMILESCS[C@@]12Cc3ccccc3N1C(=O)[C@]1(SC)CC3=CC=C[C@H](O)[C@H]3N1C2=O
InChIInChI=1S/C20H20N2O3S2/c1-26-19-10-12-6-3-4-8-14(12)21(19)17(24)20(27-2)11-13-7-5-9-15(23)16(13)22(20)18(19)25/h3-9,15-16,23H,10-11H2,1-2H3/t15-,16-,19+,20+/m0/s1
InChIKeyVMAQUOXNRYDJGR-XAMWDVODSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies (ncbitaxon:1715228) - DOI (10.1016/j.tetlet.2017.08.015)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Eutypellazine R (CHEBI:217711) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(1R,11R,14S,15S)-15-hydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4,6,8,16,18-pentaene-2,12-dione
Manual XrefsDatabases
62429280ChemSpider