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CHEBI:214016 - Ustilipid A

ChEBI IDCHEBI:214016
ChEBI NameUstilipid A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H64O13
Net Charge0
Average Mass704.895
Monoisotopic Mass704.43469
SMILESCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](OC(=O)CCCCC)[C@H](OC[C@@H](O)[C@@H](O)CO)O[C@H](COC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C36H64O13/c1-5-7-9-10-11-12-13-14-15-16-17-18-20-22-31(42)48-34-33(46-27(4)39)30(25-44-26(3)38)47-36(45-24-29(41)28(40)23-37)35(34)49-32(43)21-19-8-6-2/h28-30,33-37,40-41H,5-25H2,1-4H3/t28-,29+,30+,33+,34-,35-,36+/m0/s1
InChIKeyIZQDFTKFXTWAAO-BPSQBYRPSA-N
Species of MetaboliteComponentSourceComments
Ustilago (ncbitaxon:5269) - PubMed (12715867)
ChEBI Ontology
Outgoing Relation(s)
Ustilipid A (CHEBI:214016) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2R,3S)-2,3,4-trihydroxybutoxy]oxan-4-yl] hexadecanoate
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8028862ChemSpider