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CHEBI:208521 - Deinococcucin D

ChEBI IDCHEBI:208521
ChEBI NameDeinococcucin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H52N2O8
Net Charge0
Average Mass544.730
Monoisotopic Mass544.37237
SMILESCCCCCCC/C=C\CCCCCCCCNC(=O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C28H52N2O8/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/h9-10,22-26,28,31,33-35H,3-8,11-20H2,1-2H3,(H,29,36)(H,30,32)/b10-9-/t22-,23-,24-,25-,26-,28+/m1/s1
InChIKeyZDCYNELOZAGMDN-ZLMYTBRYSA-N
Species of MetaboliteComponentSourceComments
Deinococcusspecies (ncbitaxon:47478) - PubMed (29090916)
ChEBI Ontology
Outgoing Relation(s)
Deinococcucin D (CHEBI:208521) 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-[(Z)-heptadec-9-enyl]-2-hydroxypropanamide
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