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CHEBI:215058 - DKxanthene 560

ChEBI IDCHEBI:215058
ChEBI NameDKxanthene 560
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36N4O6
Net Charge0
Average Mass560.651
Monoisotopic Mass560.26348
SMILESCC(/C=C/C=C/C=C/C=C/C=C/C=C(\C)C(=O)NC(C(=O)O)C(O)C(N)=O)=C\[C@H]1N=C(/C=C/c2cccn2)O[C@@H]1C
InChIInChI=1S/C31H36N4O6/c1-21(20-25-23(3)41-26(34-25)18-17-24-16-13-19-33-24)14-11-9-7-5-4-6-8-10-12-15-22(2)30(38)35-27(31(39)40)28(36)29(32)37/h4-20,23,25,27-28,33,36H,1-3H3,(H2,32,37)(H,35,38)(H,39,40)/b5-4+,8-6+,9-7+,12-10+,14-11+,18-17+,21-20+,22-15+/t23-,25-,27?,28?/m1/s1
InChIKeyMXHQABZBXSDAKE-NKVGVWRDSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (17148609)
ChEBI Ontology
Outgoing Relation(s)
DKxanthene 560 (CHEBI:215058) 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]-3-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
78439954ChemSpider