Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:56:44 UTC
Update Date2022-08-31 18:26:52 UTC
Metabolite IDMMDBc0031963
Metabolite Identification
Common Name(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphate
DescriptionADP-dependent NAD(P)H-hydrate dehydratase is an enzyme that catalyzes the chemical reaction (6S)-6beta-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide + ADP = AMP + 3 H(+) + NADH + phosphate in E. coli (BioCyc).
Structure
Synonyms
ValueSource
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphateChEBI
(S)-NADPH-hydrateKegg
(S)-NADPHXKegg
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2'-phosphateKegg
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphateGenerator
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphoric acidGenerator
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphoric acidGenerator
(6S)-6Β-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphateGenerator
(6S)-6Β-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphoric acidGenerator
(S)-NADPH-hydric acidGenerator
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2'-phosphateGenerator
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2'-phosphoric acidGenerator
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2'-phosphoric acidGenerator
(6S)-6Β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2'-phosphateGenerator
(6S)-6Β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2'-phosphoric acidGenerator
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphateGenerator
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphoric acidGenerator
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphoric acidGenerator
(6S)-6Β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphateGenerator
(6S)-6Β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphoric acidGenerator
Molecular FormulaC21H32N7O18P3
Average Mass763.4362
Monoisotopic Mass763.101666791
IUPAC Name(6S)-1-[(2R,3R,4S,5R)-5-[({[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-6-hydroxy-1,4,5,6-tetrahydropyridine-3-carboximidic acid
Traditional Name(6S)-1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-6-hydroxy-5,6-dihydro-4H-pyridine-3-carboximidic acid
CAS Registry NumberNot Available
SMILES
[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(OP(O)(O)=O)[C@]2([H])O)O[C@@]([H])(N2C=C(CC[C@]2([H])O)C(O)=N)[C@]([H])(O)[C@]1([H])O
InChI Identifier
InChI=1S/C21H32N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)10(44-21)5-42-49(39,40)46-48(37,38)41-4-9-13(30)15(32)20(43-9)27-3-8(18(23)33)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-32H,1-2,4-5H2,(H2,23,33)(H,37,38)(H,39,40)(H2,22,24,25)(H2,34,35,36)/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1
InChI KeySZKXTJUOKARGIY-VPHRTNKSSA-N