Term: | (S)-NADHX |
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Accession: | CHEBI:44236
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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. |
Synonyms: | exact_synonym: | adenosine 5'-(3-{5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridin-1-yl]-5-deoxy-beta-D-ribofuranosyl} dihydrogen diphosphate) |
| related_synonym: | (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; Formula=C21H31N7O15P2; 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; SMILES=NC(=O)C1=CN([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 |
| xref: | HMDB:HMDB0059644; KEGG:C04856; MetaCyc:CPD-653; PDBeChem:NAX; PMID:21994945 |
| cyclic_relationship: | is_conjugate_acid_of CHEBI:57458; is_conjugate_base_of CHEBI:15644 |
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