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CHEBI:221797 - DKxanthene 556

ChEBI IDCHEBI:221797
ChEBI NameDKxanthene 556
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N4O5
Net Charge0
Average Mass556.663
Monoisotopic Mass556.26857
SMILESC/C(=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H]1N=C(/C=C/c2cccn2)O[C@@H]1C)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C32H36N4O5/c1-24(31(38)36-28(32(39)40)23-29(33)37)17-14-12-10-8-6-4-3-5-7-9-11-13-15-19-27-25(2)41-30(35-27)21-20-26-18-16-22-34-26/h3-22,25,27-28,34H,23H2,1-2H3,(H2,33,37)(H,36,38)(H,39,40)/b5-3+,6-4+,9-7+,10-8+,13-11+,14-12+,19-15+,21-20+,24-17+/t25-,27-,28?/m1/s1
InChIKeyJGWQTBBYPIXQNM-XUYNYAPBSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (18721748)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
DKxanthene 556 (CHEBI:221797) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
4-amino-2-[[(2E,4E,6E,8E,10E,12E,14E,16E)-2-methyl-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]-4-oxobutanoic acid