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CHEBI:189154 - Deisovaleryl-blastmycin

ChEBI IDCHEBI:189154
ChEBI NameDeisovaleryl-blastmycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28N2O8
Net Charge0
Average Mass436.461
Monoisotopic Mass436.18457
SMILESCCCCC1C(=O)OC(C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)OC(C)C1O
InChIInChI=1S/C21H28N2O8/c1-4-5-7-14-17(25)12(3)31-21(29)16(11(2)30-20(14)28)23-19(27)13-8-6-9-15(18(13)26)22-10-24/h6,8-12,14,16-17,25-26H,4-5,7H2,1-3H3,(H,22,24)(H,23,27)
InChIKeyRQVHZRRXZBBXMY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Deisovaleryl-blastmycin (CHEBI:189154) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
N-(8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl)-3-ormamido-2-hydroxybenzamide
Manual XrefsDatabases
19994679ChemSpider