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CHEBI:200371 - DKxanthene 504

ChEBI IDCHEBI:200371
ChEBI NameDKxanthene 504
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32N4O5
Net Charge0
Average Mass504.587
Monoisotopic Mass504.23727
SMILESC/C(=C\C=C\C=C\C=C\C=C\C=C\[C@H]1N=C(/C=C/c2cccn2)O[C@@H]1C)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C28H32N4O5/c1-20(27(34)32-24(28(35)36)19-25(29)33)13-10-8-6-4-3-5-7-9-11-15-23-21(2)37-26(31-23)17-16-22-14-12-18-30-22/h3-18,21,23-24,30H,19H2,1-2H3,(H2,29,33)(H,32,34)(H,35,36)/b5-3+,6-4+,9-7+,10-8+,15-11+,17-16+,20-13+/t21-,23-,24?/m1/s1
InChIKeyIYJBOHVRSOTPCF-VIHVJORWSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (17148609)
ChEBI Ontology
Outgoing Relation(s)
DKxanthene 504 (CHEBI:200371) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
4-amino-2-[[(2E,4E,6E,8E,10E,12E)-2-methyl-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]-4-oxobutanoic acid
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