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ChEBI
> Main
CHEBI:33064 - inositol hexanicotinate
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ChEBI Ontology
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ChEBI Name
inositol hexanicotinate
ChEBI ID
CHEBI:33064
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C42H30N6O12
Net Charge
0
Average Mass
810.72084
Monoisotopic Mass
810.19217
InChI
InChI=1S/C42H30N6O12/c49-
37(25-
7-
1-
13-
43-
19-
25)
55-
31-
32(56-
38(50)
26-
8-
2-
14-
44-
20-
26)
34(58-
40(52)
28-
10-
4-
16-
46-
22-
28)
36(60-
42(54)
30-
12-
6-
18-
48-
24-
30)
35(59-
41(53)
29-
11-
5-
17-
47-
23-
29)
33(31)
57-
39(51)
27-
9-
3-
15-
45-
21-
27/h1-
24,31-
36H
InChIKey
MFZCIDXOLLEMOO-UHFFFAOYSA-N
SMILES
O=C(OC1C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C1OC(=O)c1cccnc1)c1cccnc1
ChEBI Ontology
Outgoing
inositol hexanicotinate (
CHEBI:33064
)
has functional parent
nicotinic acid (
CHEBI:15940
)
inositol hexanicotinate (
CHEBI:33064
)
is a
inositol nicotinate (
CHEBI:50134
)
Incoming
myo
-inositol hexanicotinate (
CHEBI:31699
)
is a
inositol hexanicotinate (
CHEBI:33064
)
IUPAC Name
cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate
Synonyms
Sources
hexanicotinoyl inositol
ChemIDplus
inositol niacinate
ChemIDplus
Registry Numbers
Types
Sources
471091
Beilstein Registry Number
Beilstein
6556-11-2
CAS Registry Number
ChemIDplus
Last Modified
16 June 2008