(S)-NADHX (CHEBI:44236)

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CHEBI:44236 - (S)-NADHX

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ChEBI ID	CHEBI:44236
ChEBI Name	(S)-NADHX
Stars
ASCII Name	(S)-NADHX
Definition	A tetrahydronicotinamide adenine dinucleotide obtained by formal stereo- and regioselective hydration across the 5,6-double bond in the nicotinyl ring of NADH, with the hydroxy group located at position 6, having (S)-configuration.
Last Modified	13 December 2016
Downloads	Molfile

Formula	C21H31N7O15P2
Net Charge	0
Average Mass	683.461
Monoisotopic Mass	683.13534
SMILES	NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1
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)/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey	IDBZKGQRLBFUFQ-VPHRTNKSSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	fundamental metabolite Any metabolite produced by all living cells. coenzyme A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons. coenzyme A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.

ChEBI Ontology

Outgoing Relation(s)
	(S)-NADHX (CHEBI:44236) has functional parent NADH (CHEBI:16908)
	(S)-NADHX (CHEBI:44236) is a hemiaminal (CHEBI:73080)
	(S)-NADHX (CHEBI:44236) is a tetrahydronicotinamide adenine dinucleotide (CHEBI:26916)
	(S)-NADHX (CHEBI:44236) is conjugate acid of (S)-NADHX(1−) (CHEBI:57458)
	(S)-NADHX (CHEBI:44236) is conjugate base of (S)-NADHX(1+) (CHEBI:15644)
Incoming Relation(s)
	(S)-NADHX(1+) (CHEBI:15644) is conjugate acid of (S)-NADHX (CHEBI:44236)
	(S)-NADHX(1−) (CHEBI:57458) is conjugate base of (S)-NADHX (CHEBI:44236)

IUPAC Name
adenosine 5'-(3-{5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridin-1-yl]-5-deoxy-β-D-ribofuranosyl} dihydrogen diphosphate)

Synonyms	Source
BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE	PDBeChem
(6S)-6β-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide	ChEBI
6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide	KEGG COMPOUND

Manual Xrefs	Databases
NAX	PDBeChem
CPD-653	MetaCyc
C04856	KEGG COMPOUND
HMDB0059644	HMDB

Citations