MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(6R)-NADHX

	Properties	Image
MNX_ID	MNXM5377
reference	chebi:64075
formula	C₂₁H₂₉N₇O₁₅P₂
global charge	-2
mol weight	681.445
InChIKey	IDBZKGQRLBFUFQ-MTKBYBFRSA-L
InChI	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)/p-2/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
SMILES	NC(=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
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)	2
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64075 chebi:64075 IDBZKGQRLBFUFQ-MTKBYBFRSA-L	(6R)-NADHX (R)-NADHX(2-)
seed.compound:cpd26514 seedM:cpd26514 IDBZKGQRLBFUFQ-MTKBYBFRSA-L	(6R)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide (6R)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide (R)-NADH-hydrate (R)-NADHX
kegg.compound:C20482 keggC:C20482 IDBZKGQRLBFUFQ-MTKBYBFRSA-N	(6R)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide (R)-NADH-hydrate (R)-NADHX
metacyc.compound:CPD0-2472 metacycM:CPD0-2472 IDBZKGQRLBFUFQ-MTKBYBFRSA-L	(R)-NADHX (6R)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
CHEBI:134125 chebi:134125 IDBZKGQRLBFUFQ-MTKBYBFRSA-N	(R)-NADHX (6R)-6-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide (6R)-6beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide (R)-NADH-hydrate adenosine 5'-(3-{5-[(2R)-5-carbamoyl-2-hydroxy-3,4-dihydropyridin-1-yl]-5-deoxy-beta-D-ribofuranosyl} dihydrogen diphosphate)
keggC:M_C20482 seedM:M_cpd26514	secondary/obsolete/fantasy identifier