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CHEBI:223647 - Mabetailiamide

Default Structure
ChEBI IDCHEBI:223647
ChEBI NameMabetailiamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32N4O5
Net Charge0
Average Mass456.543
Monoisotopic Mass456.23727
SMILESCC(C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C24H32N4O5/c1-14(2)20-24(33)28-12-4-5-18(28)21(30)25-17(13-15-7-9-16(29)10-8-15)23(32)27-11-3-6-19(27)22(31)26-20/h7-10,14,17-20,29H,3-6,11-13H2,1-2H3,(H,25,30)(H,26,31)/t17-,18+,19+,20-/m1/s1
InChIKeyHKYOVILVNXGWMH-FUMNGEBKSA-N
Species of MetaboliteComponentSourceComments
Massilia (ncbitaxon:149698) - PubMed (33361781)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mabetailiamide (CHEBI:223647) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3R,6S,12R,15S)-3-[(4-hydroxyphenyl)methyl]-12-propan-2-yl-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
Manual XrefsDatabases
123962341ChemSpider