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CHEBI:198483 - DKxanthene 520

ChEBI IDCHEBI:198483
ChEBI NameDKxanthene 520
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32N4O6
Net Charge0
Average Mass520.586
Monoisotopic Mass520.23218
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(C(=O)O)C(O)C(N)=O
InChIInChI=1S/C28H32N4O6/c1-19(27(35)32-24(28(36)37)25(33)26(29)34)13-10-8-6-4-3-5-7-9-11-15-22-20(2)38-23(31-22)17-16-21-14-12-18-30-21/h3-18,20,22,24-25,30,33H,1-2H3,(H2,29,34)(H,32,35)(H,36,37)/b5-3+,6-4+,9-7+,10-8+,15-11+,17-16+,19-13+/t20-,22-,24?,25?/m1/s1
InChIKeyNHTPDLFCJGXZFX-UJUWFRPCSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (17148609)
ChEBI Ontology
Outgoing Relation(s)
DKxanthene 520 (CHEBI:198483) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
4-amino-3-hydroxy-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
Manual XrefsDatabases
78439917ChemSpider