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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:44215 - NAD zwitterion
Main
ChEBI Ontology
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ChEBI Name
NAD zwitterion
ChEBI ID
CHEBI:44215
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:44214, CHEBI:44281, CHEBI:13393
Supplier Information
Download
Molfile
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Molfile
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Formula
C21H27N7O14P2
Net Charge
0
Average Mass
663.42538
Monoisotopic Mass
663.10912
InChI
InChI=1S/C21H27N7O14P2/c22-
17-
12-
19(25-
7-
24-
17)
28(8-
26-
12)
21-
16(32)
14(30)
11(41-
21)
6-
39-
44(36,37)
42-
43(34,35)
38-
5-
10-
13(29)
15(31)
20(40-
10)
27-
3-
1-
2-
9(4-
27)
18(23)
33/h1-
4,7-
8,10-
11,13-
16,20-
21,29-
32H,5-
6H2,(H5-
,22,23,24,25,33,34,35,36,37)
/t10-
,11-
,13-
,14-
,15-
,16-
,20-
,21-
/m1/s1
InChIKey
BAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
NC(=O)
c1ccc[n+]
(c1)
[C@@H]
1O[C@H]
(COP([O-
]
)
(=O)
OP(O)
(=O)
OC[C@H]
2O[C@H]
([C@H]
(O)
[C@@H]
2O)
n2cnc3c(N)
ncnc23)
[C@@H]
(O)
[C@H]
1O
Roles Classification
Biological Role
(s):
fundamental metabolite
Any metabolite produced by all living cells.
(via
NAD
)
coenzyme
A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
(via
NAD(P)
)
Application
(s):
geroprotector
Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
NAD zwitterion (
CHEBI:44215
)
has functional parent
deamido-NAD zwitterion (
CHEBI:14105
)
NAD zwitterion (
CHEBI:44215
)
has role
geroprotector (
CHEBI:176497
)
NAD zwitterion (
CHEBI:44215
)
is a
NAD (
CHEBI:13389
)
NAD zwitterion (
CHEBI:44215
)
is conjugate base of
NAD
+
(
CHEBI:15846
)
Incoming
NAD
+
(
CHEBI:15846
)
is conjugate acid of
NAD zwitterion (
CHEBI:44215
)
IUPAC Name
adenosine 5'-
{3-
[1-
(3-
carbamoylpyridinio)-
1,4-
anhydro-
D
-
ribitol-
5-
yl] hydrogen diphosphate}
Synonyms
Sources
codehydrogenase I
ChemIDplus
coenzyme I
ChemIDplus
cozymase I
ChemIDplus
diphosphopyridine nucleotide
ChemIDplus
DPN
ChemIDplus
nadide
ChemIDplus
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
PDBeChem
Manual Xrefs
Databases
4140
DrugCentral
NAD
PDBeChem
View more database links
Registry Numbers
Types
Sources
3584133
Beilstein Registry Number
ChemIDplus
53-84-9
CAS Registry Number
ChemIDplus
684343
Gmelin Registry Number
Gmelin
Citation
Type
Source
19370397
PubMed citation
Europe PMC
Last Modified
26 October 2021