CHEBI:52170 - hydrabamine(1+)

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ChEBI Name hydrabamine(1+)
ChEBI ID CHEBI:52170
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H65N2
Net Charge +1
Average Mass 597.97890
Monoisotopic Mass 597.51423
InChI InChI=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
InChIKey XGIHQYAWBCFNPY-AZOCGYLKSA-O
SMILES [H][N+]([H])(CCNC[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C)C[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C
ChEBI Ontology
Outgoing 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 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
Last Modified
18 March 2009