Met009470: Apholate

  Metabolite Information

Name
Apholate
IUPAC Name
2,2,4,4,6,6-hexakis(aziridin-1-yl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Molecular Formula
C12H24N9P3
Molecular Weight
387.3
Exact Mass
387.1367528
SMILES
C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7
InChIKey
PXZAWHSJYIECNQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H24N9P3/c1-2-16(1)22(17-3-4-17)13-23(18-5-6-18,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h1-12H2
Other Databases Link
PubChem:5845

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Organoheterocyclic compounds
        Class: Aziridines
            Subclass: NA

  Crops containing this metabolite

blueberry
peach

  Metabolite Spectrum Accession Label

BLU00004n
PEACH00201n