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CHEBI:73199 - massadine

Default Structure
ChEBI IDCHEBI:73199
ChEBI Namemassadine
Stars
DefinitionAn alkaloid isolated from Stylissa massa.
Last Modified14 April 2015
Submitternamrata
DownloadsMolfile
FormulaC22H24Br4N10O5
Net Charge0
Average Mass828.115
Monoisotopic Mass823.86646
SMILES[H][C@]12[C@H](CNC(=O)c3cc(Br)c(Br)n3)[C@@H](CNC(=O)c3cc(Br)c(Br)n3)[C@H](O)[C@@]13NC(=N)N[C@@]3([H])O[C@@]1([H])NC(=N)N[C@@]21O
InChIInChI=1S/C22H24Br4N10O5/c23-7-1-9(31-13(7)25)15(38)29-3-5-6(4-30-16(39)10-2-8(24)14(26)32-10)12(37)21-11(5)22(40)18(34-20(28)36-22)41-17(21)33-19(27)35-21/h1-2,5-6,11-12,17-18,31-32,37,40H,3-4H2,(H,29,38)(H,30,39)(H3,27,33,35)(H3,28,34,36)/t5-,6-,11+,12+,17+,18-,21+,22-/m1/s1
InChIKeyMJHZRZBAUGHJOJ-RVJSRHHYSA-N
Species of MetaboliteComponentSourceComments
Stylissa massa (ncbitaxon:279589) - PubMed (12816422)
Roles Classification
Biological Roles:
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor  An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of protein geranylgeranyltransferase type I (EC 2.5.1.59).
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
massadine (CHEBI:73199) has role animal metabolite (CHEBI:75767)
massadine (CHEBI:73199) has role EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor (CHEBI:67267)
massadine (CHEBI:73199) has role marine metabolite (CHEBI:76507)
massadine (CHEBI:73199) is a alkaloid (CHEBI:22315)
massadine (CHEBI:73199) is a guanidines (CHEBI:24436)
massadine (CHEBI:73199) is a organobromine compound (CHEBI:37141)
massadine (CHEBI:73199) is a pyrrolecarboxamide (CHEBI:48611)
massadine (CHEBI:73199) is conjugate base of massadine(2+) (CHEBI:66684)
Incoming Relation(s)
massadine(2+) (CHEBI:66684) is conjugate acid of massadine (CHEBI:73199)
Registry NumbersSources
Reaxys:9539519Reaxys
Citations