CHEBI:64074 - (S)-NADHX(2−)

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ChEBI Name (S)-NADHX(2−) ChEBI ID CHEBI:64074 ChEBI ASCII Name (S)-NADHX(2-) Definition A doubly-charged nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of (S)-NADHX; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H29N7O15P2 Net Charge -2 Average Mass 681.44040 Monoisotopic Mass 681.12078 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 InChIKey IDBZKGQRLBFUFQ-VPHRTNKSSA-L 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 ChEBI Ontology Outgoing (S)-NADHX(2−) (CHEBI:64074) has functional parent NADH(2−) (CHEBI:57945) (S)-NADHX(2−) (CHEBI:64074) is a nucleotide-sugar oxoanion (CHEBI:59737) (S)-NADHX(2−) (CHEBI:64074) is conjugate base of (S)-NADHX(1−) (CHEBI:57458) Incoming (S)-NADHX(1−) (CHEBI:57458) is conjugate acid of (S)-NADHX(2−) (CHEBI:64074) Synonym Source (6S)-NADHX UniProt Manual Xref Database CPD-653 MetaCyc View more database links Citation Type Source 21994945 PubMed citation SUBMITTER Last Modified 02 August 2018