EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192211 - Islanditoxin

ChEBI IDCHEBI:192211
ChEBI NameIslanditoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31Cl2N5O7
Net Charge0
Average Mass572.446
Monoisotopic Mass571.16005
SMILESCCC1NC(=O)CC(c2ccccc2)NC(=O)C2C(Cl)C(Cl)CN2C(=O)C(CO)NC(=O)C(CO)NC1=O
InChIInChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)29-16(10-32)22(36)30-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-15(8-18(34)27-14)12-6-4-3-5-7-12/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,35)(H,30,36)
InChIKeyAIUAVRQIJPKJTG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Islanditoxin (CHEBI:192211) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
17,18-dichloro-9-ethyl-3,6-bis(hydroxymethyl)-13-phenyl-1,4,7,10,14-pentazabicyclo[14.3.0]nonadecane-2,5,8,11,15-pentone
Manual XrefsDatabases
HMDB0030458HMDB
102758ChemSpider
Registry NumbersSources
CAS:10089-09-5ChemIDplus