CHEBI:155928 - arterolane(1+)

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ChEBI Name arterolane(1+)
ChEBI ID CHEBI:155928
Definition A primary ammonium ion that is the conjugate acid of arterolane, resulting from the protonation of the primary amino group. Major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H37N2O4
Net Charge +1
Average Mass 393.547
Monoisotopic Mass 393.27478
InChI InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)/p+1/t14-,15?,16?,17?,18?,21+,22?
InChIKey VXYZBLXGCYNIHP-MMNSZCNZSA-O
SMILES C1C[C@]2(CC[C@@]1(CC(NCC([NH3+])(C)C)=O)[H])OC3(OO2)C4CC5CC3CC(C5)C4
ChEBI Ontology
Outgoing arterolane(1+) (CHEBI:155928) is a primary ammonium ion (CHEBI:65296)
arterolane(1+) (CHEBI:155928) is conjugate acid of arterolane (CHEBI:136054)
Incoming arterolane maleate (CHEBI:155927) has part arterolane(1+) (CHEBI:155928)
arterolane (CHEBI:136054) is conjugate base of arterolane(1+) (CHEBI:155928)
IUPAC Name
1-{2-[(1s,4s)-dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.13,7]decan]-4-yl]acetamido}-2-methylpropan-2-aminium
Synonym Source
arterolane cation ChEBI
Last Modified
26 June 2020