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CHEBI:198657 - DKxanthene 518

ChEBI IDCHEBI:198657
ChEBI NameDKxanthene 518
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34N4O5
Net Charge0
Average Mass518.614
Monoisotopic Mass518.25292
SMILESCC(/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/C29H34N4O5/c1-20(18-24-22(3)38-27(32-24)16-15-23-14-11-17-31-23)12-9-7-5-4-6-8-10-13-21(2)28(35)33-25(29(36)37)19-26(30)34/h4-18,22,24-25,31H,19H2,1-3H3,(H2,30,34)(H,33,35)(H,36,37)/b6-4+,7-5+,10-8+,12-9+,16-15+,20-18+,21-13+/t22-,24-,25?/m1/s1
InChIKeyHEVQETJMABIWCC-ITFSNNRVSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (17148609)
ChEBI Ontology
Outgoing Relation(s)
DKxanthene 518 (CHEBI:198657) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
4-amino-2-[[(2E,4E,6E,8E,10E,12E)-2,12-dimethyl-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
78439919ChemSpider