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CHEBI:223820 - (E)-N,5-dihydroxy-3-methyl-N-[3-[(2S,5S)-5-(3-nitropropyl)-3,6-dioxopiperazin-2-yl]propyl]pent-2-enamide

ChEBI IDCHEBI:223820
ChEBI Name(E)-N,5-dihydroxy-3-methyl-N-[3-[(2S,5S)-5-(3-nitropropyl)-3,6-dioxopiperazin-2-yl]propyl]pent-2-enamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26N4O7
Net Charge0
Average Mass386.405
Monoisotopic Mass386.18015
SMILESC/C(=C\C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCC[N+](=O)[O-])NC1=O)CCO
InChIInChI=1S/C16H26N4O7/c1-11(6-9-21)10-14(22)19(25)7-2-4-12-15(23)18-13(16(24)17-12)5-3-8-20(26)27/h10,12-13,21,25H,2-9H2,1H3,(H,17,24)(H,18,23)/b11-10+/t12-,13-/m0/s1
InChIKeyPLYMYKIRURAVJP-QFEHZMRISA-N
Species of MetaboliteComponentSourceComments
Beauveria bassiana (ncbitaxon:176275) - PubMed (32058711)
ChEBI Ontology
Outgoing Relation(s)
(E)-N,5-dihydroxy-3-methyl-N-[3-[(2S,5S)-5-(3-nitropropyl)-3,6-dioxopiperazin-2-yl]propyl]pent-2-enamide (CHEBI:223820) is a carboximidic acid (CHEBI:48378)
IUPAC Name 
(E)-N,5-dihydroxy-3-methyl-N-[3-[(2S,5S)-5-(3-nitropropyl)-3,6-dioxopiperazin-2-yl]propyl]pent-2-enamide