EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208515 - Deinococcucin C

ChEBI IDCHEBI:208515
ChEBI NameDeinococcucin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H50N2O8
Net Charge0
Average Mass530.703
Monoisotopic Mass530.35672
SMILESCCCCCC/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/C27H50N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-26(35)21(32)19-36-27-23(29-20(2)31)25(34)24(33)22(18-30)37-27/h8-9,21-25,27,30,32-34H,3-7,10-19H2,1-2H3,(H,28,35)(H,29,31)/b9-8-/t21-,22-,23-,24-,25-,27+/m1/s1
InChIKeyAKMKXKMBEVXJSS-ZGQFJIIDSA-N
Species of MetaboliteComponentSourceComments
Deinococcusspecies (ncbitaxon:47478) - PubMed (29090916)
ChEBI Ontology
Outgoing Relation(s)
Deinococcucin C (CHEBI:208515) 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)-hexadec-9-enyl]-2-hydroxypropanamide
Manual XrefsDatabases
78441675ChemSpider