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CHEBI:221791 - DKxanthene 530

ChEBI IDCHEBI:221791
ChEBI NameDKxanthene 530
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34N4O5
Net Charge0
Average Mass530.625
Monoisotopic Mass530.25292
SMILESC/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/C30H34N4O5/c1-22(29(36)34-26(30(37)38)21-27(31)35)15-12-10-8-6-4-3-5-7-9-11-13-17-25-23(2)39-28(33-25)19-18-24-16-14-20-32-24/h3-20,23,25-26,32H,21H2,1-2H3,(H2,31,35)(H,34,36)(H,37,38)/b4-3+,7-5+,8-6+,11-9+,12-10+,17-13+,19-18+,22-15+/t23-,25-,26?/m1/s1
InChIKeyRNSJXGZIFVKGTF-ZJJMVOHTSA-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 530 (CHEBI:221791) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
4-amino-2-[[(2E,4E,6E,8E,10E,12E,14E)-2-methyl-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]-4-oxobutanoic acid