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CHEBI:208509 - Deinococcucin B

ChEBI IDCHEBI:208509
ChEBI NameDeinococcucin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H54N2O8
Net Charge0
Average Mass546.746
Monoisotopic Mass546.38802
SMILESCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C28H54N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-27(36)22(33)20-37-28-24(30-21(2)32)26(35)25(34)23(19-31)38-28/h22-26,28,31,33-35H,3-20H2,1-2H3,(H,29,36)(H,30,32)/t22-,23-,24-,25-,26-,28+/m1/s1
InChIKeyRXJBVNWRPIDPIY-PUGGCYMXSA-N
Species of MetaboliteComponentSourceComments
Deinococcusspecies (ncbitaxon:47478) - PubMed (29090916)
ChEBI Ontology
Outgoing Relation(s)
Deinococcucin B (CHEBI:208509) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
(2R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-heptadecyl-2-hydroxypropanamide
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78441674ChemSpider