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CHEBI:214113 - Bacillamidin A

ChEBI IDCHEBI:214113
ChEBI NameBacillamidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H31NO5
Net Charge0
Average Mass329.437
Monoisotopic Mass329.22022
SMILESCOC(=O)C[C@@H](NC(=O)CCCCCCCC(C)C)C(=O)OC
InChIInChI=1S/C17H31NO5/c1-13(2)10-8-6-5-7-9-11-15(19)18-14(17(21)23-4)12-16(20)22-3/h13-14H,5-12H2,1-4H3,(H,18,19)/t14-/m1/s1
InChIKeyDGUKAPCPLGCHBI-CQSZACIVSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (30208577)
ChEBI Ontology
Outgoing Relation(s)
Bacillamidin A (CHEBI:214113) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name 
dimethyl (2R)-2-(9-methyldecanoylamino)butanedioate
Manual XrefsDatabases
78439274ChemSpider