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CHEBI:204235 - DKxanthene 544

ChEBI IDCHEBI:204235
ChEBI NameDKxanthene 544
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36N4O5
Net Charge0
Average Mass544.652
Monoisotopic Mass544.26857
SMILESCC(/C=C/C=C/C=C/C=C/C=C/C=C(\C)C(=O)NC(CC(N)=O)C(=O)O)=C\[C@H]1N=C(/C=C/c2cccn2)O[C@@H]1C
InChIInChI=1S/C31H36N4O5/c1-22(20-26-24(3)40-29(34-26)18-17-25-16-13-19-33-25)14-11-9-7-5-4-6-8-10-12-15-23(2)30(37)35-27(31(38)39)21-28(32)36/h4-20,24,26-27,33H,21H2,1-3H3,(H2,32,36)(H,35,37)(H,38,39)/b5-4+,8-6+,9-7+,12-10+,14-11+,18-17+,22-20+,23-15+/t24-,26-,27?/m1/s1
InChIKeyQGRNAHRIQLDWFF-XLLFCRELSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (17148609)
ChEBI Ontology
Outgoing Relation(s)
DKxanthene 544 (CHEBI:204235) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
4-amino-2-[[(2E,4E,6E,8E,10E,12E,14E)-2,14-dimethyl-15-[(4R,5R)-5-methyl-2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]pentadeca-2,4,6,8,10,12,14-heptaenoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78439930ChemSpider