EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73199 - massadine

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:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
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.
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