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CHEBI:220088 - Acu-dioxomorpholine

ChEBI IDCHEBI:220088
ChEBI NameAcu-dioxomorpholine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28N2O3
Net Charge0
Average Mass416.521
Monoisotopic Mass416.20999
SMILESC=CC(C)(C)[C@]12C[C@@H]3C(=O)O[C@H](Cc4ccccc4)C(=O)N3[C@H]1N(C)c1ccccc12
InChIInChI=1S/C26H28N2O3/c1-5-25(2,3)26-16-20-23(30)31-21(15-17-11-7-6-8-12-17)22(29)28(20)24(26)27(4)19-14-10-9-13-18(19)26/h5-14,20-21,24H,1,15-16H2,2-4H3/t20-,21-,24-,26+/m1/s1
InChIKeyHZOLEYOVBYTDAS-LUHVKKMXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aculeatus (ncbitaxon:5053) - PubMed (25068785)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Acu-dioxomorpholine (CHEBI:220088) is a N-acyl-amino acid (CHEBI:51569)