EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206018 - DKxanthene 548

ChEBI IDCHEBI:206018
ChEBI NameDKxanthene 548
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36N4O6
Net Charge0
Average Mass548.640
Monoisotopic Mass548.26348
SMILESCC(/C=C/C=C/C=C/C=C(\C)C(=O)NC(C(=O)O)C(O)C(N)=O)=C\C(C)=C\[C@H]1N=C(/C=C/c2cccn2)O[C@@H]1C
InChIInChI=1S/C30H36N4O6/c1-19(17-20(2)18-24-22(4)40-25(33-24)15-14-23-13-10-16-32-23)11-8-6-5-7-9-12-21(3)29(37)34-26(30(38)39)27(35)28(31)36/h5-18,22,24,26-27,32,35H,1-4H3,(H2,31,36)(H,34,37)(H,38,39)/b6-5+,9-7+,11-8+,15-14+,19-17+,20-18+,21-12+/t22-,24-,26?,27?/m1/s1
InChIKeyZMCUTJOWWLFLCH-MQMJZJKHSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (17148609)
ChEBI Ontology
Outgoing Relation(s)
DKxanthene 548 (CHEBI:206018) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
4-amino-3-hydroxy-4-oxo-2-[[(2E,4E,6E,8E,10E,12E)-2,10,12-trimethyl-13-[(4R,5R)-5-methyl-2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]trideca-2,4,6,8,10,12-hexaenoyl]amino]butanoic acid
Manual XrefsDatabases
78439951ChemSpider