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CHEBI:202695 - 2-(Pentadecanoylamino)-3-methylbutyric acid 2-deoxy-2-(butyrylamino)-alpha-D-glucopyranosyl ester

ChEBI IDCHEBI:202695
ChEBI Name2-(Pentadecanoylamino)-3-methylbutyric acid 2-deoxy-2-(butyrylamino)-alpha-D-glucopyranosyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H56N2O8
Net Charge0
Average Mass572.784
Monoisotopic Mass572.40367
SMILESCCCCCCCCCCCCCCC(=O)NC(C(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)CCC)C(C)C
InChIInChI=1S/C30H56N2O8/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-24(35)31-25(21(3)4)29(38)40-30-26(32-23(34)18-6-2)28(37)27(36)22(20-33)39-30/h21-22,25-28,30,33,36-37H,5-20H2,1-4H3,(H,31,35)(H,32,34)/t22-,25?,26-,27-,28-,30-/m1/s1
InChIKeyKHSLDHWSUXNVCW-CBNICUGSSA-N
Species of MetaboliteComponentSourceComments
Serratiaspecies (in: enterobacteria) (ncbitaxon:616) - PubMed (18303848)
ChEBI Ontology
Outgoing Relation(s)
2-(Pentadecanoylamino)-3-methylbutyric acid 2-deoxy-2-(butyrylamino)-alpha-D-glucopyranosyl ester (CHEBI:202695) is a amino sugar (CHEBI:28963)
IUPAC Name 
[(2R,3R,4R,5S,6R)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methyl-2-(pentadecanoylamino)butanoate
Manual XrefsDatabases
28285187ChemSpider