EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210871 - DKxanthene 508

ChEBI IDCHEBI:210871
ChEBI NameDKxanthene 508
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32N4O6
Net Charge0
Average Mass508.575
Monoisotopic Mass508.23218
SMILESCC(/C=C/C=C/C=C/C=C(\C)C(=O)NC(C(=O)O)C(O)C(N)=O)=C\[C@H]1N=C(/C=C/c2cccn2)O[C@@H]1C
InChIInChI=1S/C27H32N4O6/c1-17(16-21-19(3)37-22(30-21)14-13-20-12-9-15-29-20)10-7-5-4-6-8-11-18(2)26(34)31-23(27(35)36)24(32)25(28)33/h4-16,19,21,23-24,29,32H,1-3H3,(H2,28,33)(H,31,34)(H,35,36)/b5-4+,8-6+,10-7+,14-13+,17-16+,18-11+/t19-,21-,23?,24?/m1/s1
InChIKeyXMNGFANOWLFDPG-CPYLFOMZSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (17148609)
ChEBI Ontology
Outgoing Relation(s)
DKxanthene 508 (CHEBI:210871) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
4-amino-2-[[(2E,4E,6E,8E,10E)-2,10-dimethyl-11-[(4R,5R)-5-methyl-2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]undeca-2,4,6,8,10-pentaenoyl]amino]-3-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
78439943ChemSpider