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CHEBI:52170 - hydrabamine(1+)

ChEBI IDCHEBI:52170
ChEBI Namehydrabamine(1+)
Stars
Last Modified18 March 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H65N2
Net Charge+1
Average Mass597.996
Monoisotopic Mass597.51423
SMILES[H][C@@]12CCc3cc(C(C)C)ccc3[C@@]1(C)CCC[C@@]2(C)CNCC[N+]([H])([H])C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@]12[H]
InChIInChI=1S/C42H64N2/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3/p+1/t37-,38-,39-,40-,41+,42+/m0/s1
InChIKeyXGIHQYAWBCFNPY-AZOCGYLKSA-O
ChEBI Ontology
Outgoing Relation(s)
hydrabamine(1+) (CHEBI:52170) is a ammonium ion derivative (CHEBI:35274)
hydrabamine(1+) (CHEBI:52170) is conjugate acid of hydrabamine (CHEBI:52166)
hydrabamine(1+) (CHEBI:52170) is conjugate base of hydrabamine(2+) (CHEBI:52171)
Incoming Relation(s)
hydrabamine(2+) (CHEBI:52171) is conjugate acid of hydrabamine(1+) (CHEBI:52170)
hydrabamine (CHEBI:52166) is conjugate base of hydrabamine(1+) (CHEBI:52170)
IUPAC Name 
N-{2-[abieta-8(14),9(11),12-trien-18-ylamino]ethyl}abieta-8(14),9(11),12-trien-18-aminium