EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227610 - Flavuside A

ChEBI IDCHEBI:227610
ChEBI NameFlavuside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H81NO9
Net Charge0
Average Mass756.119
Monoisotopic Mass755.59113
SMILESCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)/C=C/CCC/C=C(\C)CCCCCCCC
InChIInChI=1S/C43H81NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-27-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-26-23-22-25-29-34(3)28-24-20-11-9-7-5-2/h26,29-30,35-41,43,45-50H,4-25,27-28,31-33H2,1-3H3,(H,44,51)/b30-26+,34-29+/t35-,36-,37+,38+,39+,40-,41+,43+/m0/s1
InChIKeyNKHXXBARFABFNY-IAXBHNTQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - PubMed (21881265)
ChEBI Ontology
Outgoing Relation(s)
Flavuside A (CHEBI:227610) is a glycosylceramide (CHEBI:62941)
IUPAC Name 
(2R)-2-hydroxy-N-[(2S,3S,4E,9E)-3-hydroxy-10-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,9-dien-2-yl]octadecanamide
Manual XrefsDatabases
28289158ChemSpider