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NAD(+)

PropertiesImage
MNX_IDMNXM8 Image of MNXM8
referencechebi:57540
formulaC21H26N7O14P2
global charge-1
mol weight662.422
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-M
InChIInChI=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)/p-1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
SMILESNC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM8
SMILES (mnx)[CH:1]1=[CH:2][C:9]([C:18](=[NH:23])[OH:33])=[CH:4][N+:27]([C@H:20]2[C@H:15]([OH:31])[C@H:13]([OH:29])[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:30])[C@@H:16]([OH:32])[C@H:21]([N:28]4[CH:8]=[N:26][C:12]5=[C:17]([NH2:22])[N:24]=[CH:7][N:25]=[C:19]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)4992
in models (compartimentalized) 1891
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-1132064
reactomeM:R-ALL-1132064
reactome:R-ALL-113526
reactomeM:R-ALL-113526
reactome:R-ALL-192307
reactomeM:R-ALL-192307
reactome:R-ALL-194653
reactomeM:R-ALL-194653
reactome:R-ALL-29360
reactomeM:R-ALL-29360
reactome:R-ALL-352330
reactomeM:R-ALL-352330
reactome:R-ALL-427523
reactomeM:R-ALL-427523
reactome:R-ALL-5688282
reactomeM:R-ALL-5688282
CHEBI:57540
chebi:57540
BAWFJGJZGIEFAR-NNYOXOHSSA-M 		NAD(+)
NAD anion
NAD(1-)
adenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] diphosphate}

CHEBI:44215
chebi:44215
BAWFJGJZGIEFAR-NNYOXOHSSA-N 		NAD zwitterion
DPN
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
adenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] hydrogen diphosphate}
codehydrogenase I
coenzyme I
cozymase I
diphosphopyridine nucleotide
nadide

CHEBI:15846
chebi:15846
BAWFJGJZGIEFAR-NNYOXOHSSA-O 		NAD(+)
DPN
Diphosphopyridine nucleotide
NAD
NAD+
Nadide
Nicotinamide adenine dinucleotide
adenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
beta-NAD
hmdb:HMDB0000902
BAWFJGJZGIEFAR-NNYOXOHSSA-N 		NAD
1-[(2R,3R,4S,5R)-5-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono}oxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-(C-hydroxycarbonimidoyl)-1lambda5-pyridin-1-ylium
1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-(C-hydroxycarbonimidoyl)-1lambda5-pyridin-1-ylium
Adenine dinucleotide, dihydronicotinamide
Adenine-nicotinamide dinucleotide
Codehydrogenase I
Coenzyme I
Cozymase I
DPN
Dihydronicotinamide adenine dinucleotide
Dinucleotide, dihydronicotinamide adenine
Dinucleotide, nicotinamide-adenine
Diphosphopyridine nucleotide
NAD+
NADH
NICOTINAMIDE-adenine-dinucleotide
Nadide
Nicotinamide adenine dinucleotide
Nicotinamide-adenine dinucleotide
Nucleotide, diphosphopyridine
Oxidized diphosphopyridine nucleotide
beta-Diphosphopyridine nucleotide
beta-NAD
beta-NAD+
beta-Nicotinamide adenine dinucleotide
beta-Nicotinamide adenine dinucleotide hydrate

seed.compound:cpd00003
seedM:cpd00003
BAWFJGJZGIEFAR-NNYOXOHSSA-M 		NAD
DPN
DPN+
DPN-ox
Diphosphopyridine nucleotide
NAD+
NAD-ox
NAD-oxidized
Nadide
Nicotinamide adenine dinucleotide
Nicotinamideadeninedinucleotide
beta-NAD+
beta-nicotinamide adenine dinucleotide
coenzyme I
diphosphopyridine nucleotide
diphosphopyridine nucleotide oxidized
nad
nicotinamide adenine dinucleotide
nicotinamide adenine dinucleotide oxidized

metacyc.compound:NAD
metacycM:NAD
BAWFJGJZGIEFAR-NNYOXOHSSA-M 		NAD
DPN
DPN+
DPN-ox
NAD
NAD-ox
NAD-oxidized
beta-NAD+
beta-nicotinamide adenine dinucleotide
coenzyme I
diphosphopyridine nucleotide
diphosphopyridine nucleotide oxidized
nicotinamide adenine dinucleotide
nicotinamide adenine dinucleotide oxidized

sabiork.compound:37
sabiorkM:37
BAWFJGJZGIEFAR-NNYOXOHSSA-O 		NAD
DPN
Diphosphopyridine nucleotide
NAD
Nadide
Nicotinamide adenine dinucleotide
Nicotinamide adenine dinucleotide (oxidized)
beta-NAD+

kegg.compound:C00003
keggC:C00003
BAWFJGJZGIEFAR-NNYOXOHSSA-O 		NAD
DPN
Diphosphopyridine nucleotide
NAD
Nadide
Nicotinamide adenine dinucleotide
beta-NAD+

kegg.drug:D00002
keggD:D00002
BAWFJGJZGIEFAR-NNYOXOHSSA-O 		Nadide (JAN/USAN/INN)
Nicotinamide adenine dinucleotide

bigg.metabolite:nad
biggM:nad
BAWFJGJZGIEFAR-NNYOXOHSSA-M 		Nicotinamide adenine dinucleotide

vmhM:nad
vmhM:nad
vmhmetabolite:nad
vmhmetabolite:nad
BAWFJGJZGIEFAR-NNYOXOHSSA-M 		Nicotinamide adenine dinucleotide
1-[(2R,3R,4S,5R)-5-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono}oxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-(C-hydroxyc

hmdb:HMDB00902
chebi:13393
chebi:13394
chebi:21901
chebi:44214
chebi:44281
chebi:7422
biggM:M_nad
keggC:M_C00003
keggD:M_D00002
seedM:M_cpd00003
vmhM:M_nad 		secondary/obsolete/fantasy identifier