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ChEBI
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CHEBI:80954 - Sceptrin
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ChEBI Ontology
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ChEBI Name
Sceptrin
ChEBI ID
CHEBI:80954
Stars
This entity has been manually annotated by a third party.
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Formula
C22H24Br2N10O2
Net Charge
0
Average Mass
620.30000
Monoisotopic Mass
618.04505
InChI
InChI=1S/C22H24Br2N10O2/c23-
9-
1-
13(27-
3-
9)
19(35)
29-
5-
11-
12(6-
30-
20(36)
14-
2-
10(24)
4-
28-
14)
18(16-
8-
32-
22(26)
34-
16)
17(11)
15-
7-
31-
21(25)
33-
15/h1-
4,7-
8,11-
12,17-
18,27-
28H,5-
6H2,(H,29,35)
(H,30,36)
(H3,25,31,33)
(H3,26,32,34)
/t11-
,12-
,17-
,18-
/m1/s1
InChIKey
YPZNLFZLPZWWAD-GWIYSAMLSA-N
SMILES
Nc1ncc([nH]1)[C@H]1[C@H](CNC(=O)c2cc(Br)c[nH]2)[C@@H](CNC(=O)c2cc(Br)c[nH]2)[C@@H]1c1cnc(N)[nH]1
ChEBI Ontology
Outgoing
Sceptrin (
CHEBI:80954
)
is a
pyrroles (
CHEBI:26455
)
Sceptrin (
CHEBI:80954
)
is a
secondary carboxamide (
CHEBI:140325
)
Manual Xref
Database
C17166
KEGG COMPOUND
View more database links
Registry Number
Type
Source
79638-16-7
CAS Registry Number
KEGG COMPOUND
Last Modified
07 March 2018