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CHEBI:66684 - massadine(2+)

ChEBI IDCHEBI:66684
ChEBI Namemassadine(2+)
Stars
DefinitionA guanidinium ion that is a conjugate acid of massadine.
Last Modified15 April 2013
DownloadsMolfile
FormulaC22H26Br4N10O5
Net Charge+2
Average Mass830.131
Monoisotopic Mass825.88102
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(=[NH2+])N[C@@]3([H])O[C@@]1([H])NC(=[NH2+])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)/p+2/t5-,6-,11+,12+,17+,18-,21+,22-/m1/s1
InChIKeyMJHZRZBAUGHJOJ-RVJSRHHYSA-P
Species of MetaboliteComponentSourceComments
Stylissa massa (ncbitaxon:279589) - PubMed (12816422)
ChEBI Ontology
Outgoing Relation(s)
massadine(2+) (CHEBI:66684) is a guanidinium ion (CHEBI:60251)
massadine(2+) (CHEBI:66684) is conjugate acid of massadine (CHEBI:73199)
Incoming Relation(s)
massadine (CHEBI:73199) is conjugate base of massadine(2+) (CHEBI:66684)
Citations