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CHEBI:213976 - DKxanthene 586

ChEBI IDCHEBI:213976
ChEBI NameDKxanthene 586
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H38N4O6
Net Charge0
Average Mass586.689
Monoisotopic Mass586.27913
SMILESCC(/C=C/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/C33H38N4O6/c1-23(22-27-25(3)43-28(36-27)20-19-26-18-15-21-35-26)16-13-11-9-7-5-4-6-8-10-12-14-17-24(2)32(40)37-29(33(41)42)30(38)31(34)39/h4-22,25,27,29-30,35,38H,1-3H3,(H2,34,39)(H,37,40)(H,41,42)/b6-4+,7-5+,10-8+,11-9+,14-12+,16-13+,20-19+,23-22+,24-17+/t25-,27-,29?,30?/m1/s1
InChIKeyGPQNFPNWHXLGOB-ZRFBTFENSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (17148609)
ChEBI Ontology
Outgoing Relation(s)
DKxanthene 586 (CHEBI:213976) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
4-amino-2-[[(2E,4E,6E,8E,10E,12E,14E,16E)-2,16-dimethyl-17-[(4R,5R)-5-methyl-2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]heptadeca-2,4,6,8,10,12,14,16-octaenoyl]amino]-3-hydroxy-4-oxobutanoic acid
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78439944ChemSpider