EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225655 - Aureosurfactin

ChEBI IDCHEBI:225655
ChEBI NameAureosurfactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H40O7
Net Charge0
Average Mass404.544
Monoisotopic Mass404.27740
SMILESCCCCC[C@@H](O)C[C@@H](O)CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)OC
InChIInChI=1S/C21H40O7/c1-4-6-8-10-16(22)12-17(23)15-21(26)28-19(11-9-7-5-2)13-18(24)14-20(25)27-3/h16-19,22-24H,4-15H2,1-3H3/t16-,17-,18-,19-/m1/s1
InChIKeyRNQUQFJBAHNFCZ-NCXUSEDFSA-N
Species of MetaboliteComponentSourceComments
Aureobasidium (ncbitaxon:5579) - PubMed (26758494)
ChEBI Ontology
Outgoing Relation(s)
Aureosurfactin (CHEBI:225655) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(3R,5R)-3-hydroxy-1-methoxy-1-oxodecan-5-yl] (3R,5R)-3,5-dihydroxydecanoate
Manual XrefsDatabases
78441578ChemSpider