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CHEBI:222323 - Dimerumic acid

ChEBI IDCHEBI:222323
ChEBI NameDimerumic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36N4O8
Net Charge0
Average Mass484.550
Monoisotopic Mass484.25331
SMILESC/C(=C\C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)/C=C(\C)CCO)NC1=O)CCO
InChIInChI=1S/C22H36N4O8/c1-15(7-11-27)13-19(29)25(33)9-3-5-17-21(31)24-18(22(32)23-17)6-4-10-26(34)20(30)14-16(2)8-12-28/h13-14,17-18,27-28,33-34H,3-12H2,1-2H3,(H,23,32)(H,24,31)/b15-13+,16-14+
InChIKeyMKDKGLNKTMDNHY-WXUKJITCSA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - DOI (10.1016/S0891-5849(00)00188-X)
ChEBI Ontology
Outgoing Relation(s)
Dimerumic acid (CHEBI:222323) has functional parent α-amino acid (CHEBI:33704)
Dimerumic acid (CHEBI:222323) is a organonitrogen compound (CHEBI:35352)
Dimerumic acid (CHEBI:222323) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(E)-N,5-dihydroxy-N-[3-[5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpent-2-enamide
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4947731ChemSpider