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deamido-NAD(+)

Properties

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Occurences in reactions

MNX_ID

MNXM1103300

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	15

formula

C₂₁H₂₄N₆O₁₅P₂

charge

-2

mass

662.07858

reference

chebi:58437

InChIKey

SENPVEZBRZQVST-HISDBWNOSA-L

InChI

InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p-2/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

SMILES

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H]([n+]3cccc(C(=O)[O-])c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58437 chebi:58437	deamido-NAD(+) adenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] diphosphate} deamido-NAD(2-)
seed.compound:cpd00638 seedM:cpd00638	Deamido-NAD Deamido-NAD+ Deamino-NAD+ NAAD NaAD NaADN deamido-NAD deamido-NAD+ deamidonicotinamide adenine dinucleoetide deamino-NAD+ dnad nicotinate adenine dinucleotide
bigg.metabolite:dnad biggM:dnad	Deamino-NAD+
kegg.compound:C00857 keggC:C00857	Deamino-NAD+ Deamido-NAD Deamido-NAD+ Nicotinic acid adenine dinucleotide
sabiork.compound:1349 sabiorkM:1349	Deamino-NAD+ Deamido-NAD Deamido-NAD+ beta-Deamino-NAD+
hmdb:HMDB0001179	Nicotinic acid adenine dinucleotide 1-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-3-carboxy-1lambda⁵-pyridin-1-ylium Adenine-nicotinic acid dinucleotide Deamido-NAD Deamido-nad+ Deamidodiphosphopyridine nucleotide Deamidonicotinamide adenine dinucleoetide Deamino-nad+ Desamido NAD NAAD NaADN Nicotinate adenine dinucleotide Nicotinic acid-adenine dinucleotide deamido-NAD(+)
CHEBI:14105 chebi:14105	deamido-NAD zwitterion adenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] hydrogen diphosphate}
reactome:R-ALL-197256 reactomeM:R-ALL-197256 reactome:R-ALL-200499 reactomeM:R-ALL-200499 CHEBI:18304 chebi:18304	deamido-NAD(+) Deamido-NAD Deamido-NAD+ Deamino-NAD+ adenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
metacyc.compound:DEAMIDO-NAD metacycM:DEAMIDO-NAD	nicotinate adenine dinucleotide NaAD NaADN deamido-NAD deamido-NAD+ deamidonicotinamide adenine dinucleoetide deamino-NAD+
hmdb:HMDB01179 chebi:14103 chebi:14104 chebi:23567 chebi:4340 biggM:M_dnad keggC:M_C00857 seedM:M_cpd00638	secondary/obsolete/fantasy identifier