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CHEBI:216254 - rhizoleucinoside

ChEBI IDCHEBI:216254
ChEBI Namerhizoleucinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H79NO11
Net Charge0
Average Mass774.090
Monoisotopic Mass773.56531
SMILESCCCCCCC[C@H](CC(=O)N[C@H](CO)CC(C)C)OC(=O)C[C@@H](CCCCCCC)OC(=O)C[C@@H](CCCCCCC)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C42H79NO11/c1-7-10-13-16-19-22-33(26-36(45)43-32(29-44)25-30(4)5)52-37(46)27-34(23-20-17-14-11-8-2)53-38(47)28-35(24-21-18-15-12-9-3)54-42-41(50)40(49)39(48)31(6)51-42/h30-35,39-42,44,48-50H,7-29H2,1-6H3,(H,43,45)/t31-,32-,33+,34+,35+,39-,40+,41+,42-/m0/s1
InChIKeyBAXSYGWGGUMDOD-KHGFURPJSA-N
Species of MetaboliteComponentSourceComments
Bradyrhizobiumspecies BTAi1 (ncbitaxon:288000) - PubMed (26959412)
ChEBI Ontology
Outgoing Relation(s)
rhizoleucinoside (CHEBI:216254) is a glycolipid (CHEBI:33563)
IUPAC Name 
[(3R)-1-[(3R)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] (3R)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydecanoate
Manual XrefsDatabases
78440605ChemSpider