CHEBI:222323 - Dimerumic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dimerumic acid
ChEBI ID CHEBI:222323
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36N4O8
Net Charge 0
Average Mass 484.550
Monoisotopic Mass 484.25331
InChI InChI=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+
InChIKey MKDKGLNKTMDNHY-WXUKJITCSA-N
SMILES O=C1NC(C(=O)NC1CCCN(O)C(=O)/C=C(/CCO)\C)CCCN(O)C(=O)/C=C(/CCO)\C
Metabolite of Species Details
Monascus purpureus (NCBI:txid5098) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
4947731 ChemSpider
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