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CHEBI:188639 - bengamide E

ChEBI IDCHEBI:188639
ChEBI Namebengamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H30N2O6
Net Charge0
Average Mass358.435
Monoisotopic Mass358.21039
SMILESCO[C@@H](C(=O)N[C@H]1CCCCNC1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)C
InChIInChI=1S/C17H30N2O6/c1-10(2)7-8-12(20)13(21)14(22)15(25-3)17(24)19-11-6-4-5-9-18-16(11)23/h7-8,10-15,20-22H,4-6,9H2,1-3H3,(H,18,23)(H,19,24)/b8-7+/t11-,12+,13-,14+,15+/m0/s1
InChIKeyQBOZJYBWSKZELU-XMBAGFDESA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
bengamide E (CHEBI:188639) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methyl-N-[(3S)-2-oxoazepan-3-yl]non-6-enamide
Manual XrefsDatabases
4948092ChemSpider
Registry NumbersSources
CAS:118477-03-5ChemIDplus