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massadine(2+)

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A guanidinium ion that is a conjugate acid of massadine.

Term info

Label

massadine(2+)

database cross reference
Subsets

3_STAR

charge

+2

formula

C22H26Br4N10O5

has obo namespace

chebi_ontology

id

CHEBI:66684

inchi

InChI=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

inchikey

MJHZRZBAUGHJOJ-RVJSRHHYSA-P

mass

830.12200

monoisotopicmass

825.88102

smiles

[H][C@]12NC(=[NH2+])N[C@@]1(O)[C@@]1([H])[C@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@H](O)[C@@]11NC(=[NH2+])N[C@@]1([H])O2

Term relations