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CHEBI:202477 - DKxanthene 492

ChEBI IDCHEBI:202477
ChEBI NameDKxanthene 492
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32N4O5
Net Charge0
Average Mass492.576
Monoisotopic Mass492.23727
SMILESCC(/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/C27H32N4O5/c1-18(16-22-20(3)36-25(30-22)14-13-21-12-9-15-29-21)10-7-5-4-6-8-11-19(2)26(33)31-23(27(34)35)17-24(28)32/h4-16,20,22-23,29H,17H2,1-3H3,(H2,28,32)(H,31,33)(H,34,35)/b5-4+,8-6+,10-7+,14-13+,18-16+,19-11+/t20-,22-,23?/m1/s1
InChIKeyYCNMXONAOSPSEX-XLWDLCQDSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (17148609)
ChEBI Ontology
Outgoing Relation(s)
DKxanthene 492 (CHEBI:202477) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
4-amino-2-[[(2E,4E,6E,8E,10E)-2,10-dimethyl-11-[(4R,5R)-5-methyl-2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]undeca-2,4,6,8,10-pentaenoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78439928ChemSpider