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CHEBI:222604 - Roseobactin

Default Structure
ChEBI IDCHEBI:222604
ChEBI NameRoseobactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56N6O11
Net Charge0
Average Mass748.875
Monoisotopic Mass748.40071
SMILESCC(C)(C(=O)NCCCNCCCCNC(=O)C1=CCC(O)C(O)=C1)C(O)(CC(=O)NCCCNCCCCNC(=O)c1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C36H56N6O11/c1-35(2,33(50)42-20-8-16-38-14-4-6-18-41-32(49)25-10-12-27(44)29(46)22-25)36(53,34(51)52)23-30(47)39-19-7-15-37-13-3-5-17-40-31(48)24-9-11-26(43)28(45)21-24/h9-11,21-22,27,37-38,43-46,53H,3-8,12-20,23H2,1-2H3,(H,39,47)(H,40,48)(H,41,49)(H,42,50)(H,51,52)
InChIKeyLCNAKNAUQPALFL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phaeobacter inhibens (ncbitaxon:221822) - PubMed (34437838)
ChEBI Ontology
Outgoing Relation(s)
Roseobactin (CHEBI:222604) is a benzamides (CHEBI:22702)