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(6S)-NADHX

PropertiesImage
MNX_IDMNXM1964 Image of MNXM1964
referencechebi:64074
formulaC21H29N7O15P2
global charge-2
mol weight681.445
InChIKeyIDBZKGQRLBFUFQ-VPHRTNKSSA-L
InChIInChI=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)/p-2/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1
SMILESNC(=O)C1=CN([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)[C@@H](O)CC1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1964
SMILES (mnx)[CH2:1]1[CH2:2][C@H:11]([OH:29])[N:27]([C@H:20]2[C@H:15]([OH:32])[C@H:13]([OH:30])[C@@H:9]([CH2:4][O:39][P:44]([OH:35])(=[O:36])[O:43][P:45]([OH:37])(=[O:38])[O:40][CH2:5][C@@H:10]3[C@@H:14]([OH:31])[C@@H:16]([OH:33])[C@H:21]([N:28]4[CH:7]=[N:26][C:12]5=[C:17]([NH2:22])[N:24]=[CH:6][N:25]=[C:19]54)[O:42]3)[O:41]2)[CH:3]=[C:8]1[C:18](=[NH:23])[OH:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64074
chebi:64074
IDBZKGQRLBFUFQ-VPHRTNKSSA-L 		(6S)-NADHX
(S)-NADHX(2-)

seed.compound:cpd02951
seedM:cpd02951
IDBZKGQRLBFUFQ-VPHRTNKSSA-L 		(6S)-6-beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(S)-NADH-hydrate
(S)-NADHX
6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide

kegg.compound:C04856
keggC:C04856
IDBZKGQRLBFUFQ-VPHRTNKSSA-N 		(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(S)-NADH-hydrate
(S)-NADHX
6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide

CHEBI:15644
chebi:15644
IDBZKGQRLBFUFQ-VPHRTNKSSA-O 		(S)-NADHX(1+)
(6S)-6-beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
adenosine 5'-(3-{5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridinium-1(2H)-yl]-5-deoxy-beta-D-ribofuranosyl} dihydrogen diphosphate)

CHEBI:57458
chebi:57458
IDBZKGQRLBFUFQ-VPHRTNKSSA-M 		(S)-NADHX(1-)
(6S)-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide anion
(6S)-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide(1-)
adenosine 5'-(3-{5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridinium-1(2H)-yl]-5-deoxy-beta-D-ribofuranosyl} diphosphate)

metacyc.compound:CPD-653
metacycM:CPD-653
IDBZKGQRLBFUFQ-VPHRTNKSSA-L 		(S)-NADHX
(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide

CHEBI:44236
chebi:44236
IDBZKGQRLBFUFQ-VPHRTNKSSA-N 		(S)-NADHX
(6S)-6beta-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide
6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
adenosine 5'-(3-{5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridin-1-yl]-5-deoxy-beta-D-ribofuranosyl} dihydrogen diphosphate)
hmdb:HMDB0059644
IDBZKGQRLBFUFQ-VPHRTNKSSA-N 		NADHX
(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(6S)-6-b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide
(6S)-6beta-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide
(6S)-6beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
(S)-NADH-hydrate
(S)-NADH-hydric acid
(S)-NADHX
(S)-nadhx
6b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
6beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
BETA-6-HYDROXY-1,4,5,6-tetrhydronicotinamide adenine dinucleotide
Monohydroxytetrahydronicotinamide adenine dinucleotide
[({[(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
b-6-HYDROXY-1,4,5,6-tetrhydronicotinamide adenine dinucleotide
beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotide

hmdb:HMDB59644
chebi:10928
chebi:18609
chebi:256
keggC:M_C04856
seedM:M_cpd02951 		secondary/obsolete/fantasy identifier