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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Nicotinamide guanine dinucleotide
Properties
Image
Occurences in reactions
MNX_ID
MNXM1108406
#reac
in my sandbox
0
in MNXref (generic)
3
in models (compartimentalized)
0
formula
C
21
H
27
N
7
O
15
P
2
charge
0
mass
679.10404
reference
sabiorkM:22733
InChIKey
UMIKTNNNENCAOK-NAJQWHGHSA-N
InChI
InChI=1S/C21H27N7O15P2/c22-16(33)8-2-1-3-27(4-8)19-14(31)12(29)9(41-19)5-39-44(35,36)43-45(37,38)40-6-10-13(30)15(32)20(42-10)28-7-24-11-17(28)25-21(23)26-18(11)34/h1-4,7,9-10,12-15,19-20,29-30,32H,5-6H2,(H2,22,33)(H,35,36)(H,37,38)(H3,23,25,26,34)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1
SMILES
N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)nc(=N)[nH]c54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2[O-])c1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
sabiork.compound:22733
sabiorkM:22733
Nicotinamide guanine dinucleotide