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 No supplier information found for this compound.
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