CHEBI:57458 - (S)-NADHX(1−)

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ChEBI Name (S)-NADHX(1−)
ChEBI ID CHEBI:57458
ChEBI ASCII Name (S)-NADHX(1-)
Definition The anion of (6S)-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide arising from deprotonation of both OH groups of the diphosphate moiety.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H30N7O15P2
Net Charge -1
Average Mass 682.44830
Monoisotopic Mass 682.12806
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-1/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey IDBZKGQRLBFUFQ-VPHRTNKSSA-M
SMILES NC(=O)C1=C[NH+]([C@@H](O)CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing (S)-NADHX(1−) (CHEBI:57458) is a organophosphate oxoanion (CHEBI:58945)
(S)-NADHX(1−) (CHEBI:57458) is conjugate acid of (S)-NADHX(2−) (CHEBI:64074)
(S)-NADHX(1−) (CHEBI:57458) is conjugate base of (S)-NADHX (CHEBI:44236)
Incoming (S)-NADHX (CHEBI:44236) is conjugate acid of (S)-NADHX(1−) (CHEBI:57458)
(S)-NADHX(2−) (CHEBI:64074) is conjugate base of (S)-NADHX(1−) (CHEBI:57458)
IUPAC Name
adenosine 5'-(3-{5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridinium-1(2H)-yl]-5-deoxy-β-D-ribofuranosyl} diphosphate)
Synonyms Sources
(6S)-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide anion ChEBI
(6S)-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide(1−) ChEBI
Last Modified
05 March 2012