CHEBI:88140 - 6-hydro-β-NAD(2−)

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ChEBI Name 6-hydro-β-NAD(2−) ChEBI ID CHEBI:88140 ChEBI ASCII Name 6-hydro-beta-NAD(2-) Definition An organophosphate oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 6-hydro-β-NAD; 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 C21H27N7O14P2 Net Charge -2 Average Mass 663.426 Monoisotopic Mass 663.11022 InChI InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-2,4,7-8,10-11,13-16,20-21,29-32H,3,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChIKey QVQHBKNZCMZBKP-NNYOXOHSSA-L SMILES N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(C=CC5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3O)O ChEBI Ontology Outgoing 6-hydro-β-NAD(2−) (CHEBI:88140) is a organophosphate oxoanion (CHEBI:58945) 6-hydro-β-NAD(2−) (CHEBI:88140) is conjugate base of 6-hydro-β-NAD (CHEBI:90174) Incoming 6-hydro-β-NAD (CHEBI:90174) is conjugate acid of 6-hydro-β-NAD(2−) (CHEBI:88140) Synonym Source 1,6-dihydro-β-NAD UniProt Citation Type Source 25531177 PubMed citation SUBMITTER Last Modified 02 November 2015