Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:49:14 UTC
Update Date2022-08-31 18:24:44 UTC
Metabolite IDMMDBc0031785
Metabolite Identification
Common Name(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
Description(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide is a substrate for the enzymes ATP-dependent NAD(P)H-hydrate dehydratase which catalyzes the reaction ATP + (6S)-6beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide = ADP + phosphate + NADH. This is an intermediate in NADH "repair".
Structure
Synonyms
ValueSource
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotideChEBI
6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotideChEBI
BETA-6-HYDROXY-1,4,5,6-tetrhydronicotinamide adenine dinucleotideChEBI
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotideGenerator
(6S)-6β-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotideGenerator
6b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotideGenerator
6β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotideGenerator
b-6-HYDROXY-1,4,5,6-tetrhydronicotinamide adenine dinucleotideGenerator
β-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotideGenerator
(S)-NADH-hydrateKEGG
(S)-NADHXKEGG
(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotideKEGG
(S)-NADH-hydric acidGenerator
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotideGenerator
(6S)-6Β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotideGenerator
(6S)-6-b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotideGenerator
(6S)-6-Β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotideGenerator
Monohydroxytetrahydronicotinamide adenine dinucleotideHMDB
NADHXHMDB
Molecular FormulaC21H31N7O15P2
Average Mass683.4563
Monoisotopic Mass683.135336381
IUPAC Name[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-[(2S)-5-carbamoyl-2-hydroxy-1,2,3,4-tetrahydropyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
Traditional Name(S)-nadhx
CAS Registry NumberNot Available
SMILES
[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=C(CC[C@]3([H])O)C(O)=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
InChI Identifier
InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1
InChI KeyIDBZKGQRLBFUFQ-VPHRTNKSSA-N