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CHEBI:227302 - DKxanthene-534

ChEBI IDCHEBI:227302
ChEBI NameDKxanthene-534
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34N4O6
Net Charge0
Average Mass534.613
Monoisotopic Mass534.24783
SMILESCC(/C=C/C=C/C=C/C=C/C=C(\C)C(=O)NC(C(=O)O)C(O)C(N)=O)=C\C1N=C(/C=C/c2cccn2)OC1C
InChIInChI=1S/C29H34N4O6/c1-19(18-23-21(3)39-24(32-23)16-15-22-14-11-17-31-22)12-9-7-5-4-6-8-10-13-20(2)28(36)33-25(29(37)38)26(34)27(30)35/h4-18,21,23,25-26,31,34H,1-3H3,(H2,30,35)(H,33,36)(H,37,38)/b6-4+,7-5+,10-8+,12-9+,16-15+,19-18+,20-13+
InChIKeyFUDJQSGQMGPRDW-PCRAKYBBSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (17148609)
ChEBI Ontology
Outgoing Relation(s)
DKxanthene-534 (CHEBI:227302) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
4-amino-2-[[(2E,4E,6E,8E,10E,12E)-2,12-dimethyl-13-[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]-3-hydroxy-4-oxobutanoic acid