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deamido-NAD(+)

PropertiesImage
MNX_IDMNXM1103300 Image of MNXM1103300
referencechebi:58437
formulaC21H24N6O15P2
global charge-2
mol weight662.398
InChIKeySENPVEZBRZQVST-HISDBWNOSA-L
InChIInChI=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
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H]([N+]3=CC(C(=O)[O-])=CC=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/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)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1 Image of MNXM1103300
SMILES (mnx)[CH:1]1=[CH:2][C:9]([C:21](=[O:32])[OH:33])=[CH:4][N+:26]([C@H:19]2[C@H:15]([OH:30])[C@H:13]([OH:28])[C@@H:10]([CH2:5][O:38][P:43](=[O:34])([OH:35])[O:42][P:44](=[O:36])([O-:37])[O:39][CH2:6][C@@H:11]3[C@@H:14]([OH:29])[C@@H:16]([OH:31])[C@H:20]([N:27]4[CH:8]=[N:25][C:12]5=[C:17]([NH2:22])[N:23]=[CH:7][N:24]=[C:18]54)[O:41]3)[O:40]2)=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)14
in models (compartimentalized) 14
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58437
chebi:58437
SENPVEZBRZQVST-HISDBWNOSA-L 		deamido-NAD(+)
adenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] diphosphate}
deamido-NAD(2-)

seed.compound:cpd00638
seedM:cpd00638
SENPVEZBRZQVST-HISDBWNOSA-L 		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
SENPVEZBRZQVST-HISDBWNOSA-L 		Deamino-NAD

kegg.compound:C00857
keggC:C00857
SENPVEZBRZQVST-HISDBWNOSA-O 		Deamino-NAD
Deamido-NAD
Deamido-NAD+
Nicotinic acid adenine dinucleotide

sabiork.compound:1349
sabiorkM:1349
SENPVEZBRZQVST-HISDBWNOSA-O 		Deamino-NAD
Deamido-NAD
Deamido-NAD+
beta-Deamino-NAD+
hmdb:HMDB0001179
SENPVEZBRZQVST-HISDBWNOSA-O 		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
1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-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

CHEBI:14105
chebi:14105
SENPVEZBRZQVST-HISDBWNOSA-N 		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
reactome:R-ALL-8938090
reactomeM:R-ALL-8938090
CHEBI:18304
chebi:18304
SENPVEZBRZQVST-HISDBWNOSA-O 		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
SENPVEZBRZQVST-HISDBWNOSA-L 		nicotinate adenine dinucleotide
NaAD
NaADN
deamido-NAD
deamido-NAD+
deamidonicotinamide adenine dinucleoetide
deamino-NAD+
nicotinic acid adenine dinucleotide

hmdb:HMDB01179
chebi:14103
chebi:14104
chebi:23567
chebi:4340
biggM:M_dnad
keggC:M_C00857
seedM:M_cpd00638 		secondary/obsolete/fantasy identifier