EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176071 - Ceanothine E

ChEBI IDCHEBI:176071
ChEBI NameCeanothine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40N4O4
Net Charge0
Average Mass568.718
Monoisotopic Mass568.30496
SMILESCC(C)CC1NC(=O)C(NC(=O)C(Cc2ccccc2)N(C)C)C(c2ccccc2)Oc2ccc(cc2)/C=C\NC1=O
InChIInChI=1S/C34H40N4O4/c1-23(2)21-28-32(39)35-20-19-24-15-17-27(18-16-24)42-31(26-13-9-6-10-14-26)30(34(41)36-28)37-33(40)29(38(3)4)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-
InChIKeyKCFAADIKGBVBFW-VXPUYCOJSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ceanothine E (CHEBI:176071) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-(dimethylamino)-N-[(10Z)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
Manual XrefsDatabases
HMDB0029342HMDB
4523141ChemSpider