Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:155928 - arterolane(1+)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
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-
[(1
s
,4
s
)-
dispiro[cyclohexane-
1,3'-
[1,2,4]trioxolane-
5',2''-
tricyclo[3.3.1.1
3,7
]decan]-
4-
yl]acetamido}-
2-
methylpropan-
2-
aminium
Synonym
Source
arterolane cation
ChEBI
Last Modified
26 June 2020