CHEBI:176432 - jenamidine B

ChEBI IDCHEBI:176432
ChEBI Namejenamidine B
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Last Modified12 August 2021
Submittermwilliams
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FormulaC13H18N2O4
Net Charge0
Average Mass266.297
Monoisotopic Mass266.12666
SMILESC/C(=C\C(C)O)C1=CC(=O)N2CCCC(=O)C2(O)N1
InChIInChI=1S/C13H18N2O4/c1-8(6-9(2)16)10-7-12(18)15-5-3-4-11(17)13(15,19)14-10/h6-7,9,14,16,19H,3-5H2,1-2H3/b8-6+
InChIKeyGVFIFAQFRUOEOY-SOFGYWHQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:960) urine (BTO:0001419) MetaboLights (MTBLS2295)
Streptomyces sp. (ncbitaxon:1931) - PubMed (14632283) Strain: HKI0297
ChEBI Ontology
Outgoing Relation(s)
jenamidine B (CHEBI:176432) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
9a-hydroxy-2-[(2E)-4-hydroxypent-2-en-2-yl]-1,7,8,9a-tetrahydro-4H-pyrido[1,2-a]pyrimidine-4,9(6H)-dione
Manual XrefsDatabases
9955124ChemSpider
C00014974KNApSAcK
Citations