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CHEBI:201056 - DKxanthene 574

ChEBI IDCHEBI:201056
ChEBI NameDKxanthene 574
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N4O6
Net Charge0
Average Mass574.678
Monoisotopic Mass574.27913
SMILESCC(/C=C/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/C32H38N4O6/c1-21(19-22(2)20-26-24(4)42-27(35-26)17-16-25-15-12-18-34-25)13-10-8-6-5-7-9-11-14-23(3)31(39)36-28(32(40)41)29(37)30(33)38/h5-20,24,26,28-29,34,37H,1-4H3,(H2,33,38)(H,36,39)(H,40,41)/b7-5+,8-6+,11-9+,13-10+,17-16+,21-19+,22-20+,23-14+/t24-,26-,28?,29?/m1/s1
InChIKeyQLGDZYNEUOCYJB-DCQOYYOLSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (17148609)
ChEBI Ontology
Outgoing Relation(s)
DKxanthene 574 (CHEBI:201056) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
4-amino-3-hydroxy-4-oxo-2-[[(2E,4E,6E,8E,10E,12E,14E)-2,12,14-trimethyl-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]butanoic acid
Manual XrefsDatabases
78439924ChemSpider