CHEBI:58437 - deamido-NAD(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name deamido-NAD(2−)
ChEBI ID CHEBI:58437
ChEBI ASCII Name deamido-NAD(2-)
Definition Dianion of deamido-NAD+ arising from deprotonation of phosphate and carboxylic acid functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H24N6O15P2
Net Charge -2
Average Mass 662.39400
Monoisotopic Mass 662.07859
InChI InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p-2/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChIKey SENPVEZBRZQVST-HISDBWNOSA-L
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C([O-])=O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing deamido-NAD(2−) (CHEBI:58437) is a organophosphate oxoanion (CHEBI:58945)
deamido-NAD(2−) (CHEBI:58437) is conjugate base of deamido-NAD zwitterion (CHEBI:14105)
Incoming deamido-NAD zwitterion (CHEBI:14105) is conjugate acid of deamido-NAD(2−) (CHEBI:58437)
IUPAC Name
adenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] diphosphate}
Synonym Source
deamido-NAD+ UniProt
Last Modified
14 July 2015