Showing Metabocard for NAD(+) (BASm0002782)

Not AvailableNot AvailableNot Available
Common NameNad(+)
DescriptionNAD+, also known as codehydrogenase I or coenzyme I, belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage. NAD+ is a very strong basic compound (based on its pKa). In humans, NAD+ is involved in citric acid cycle. Outside of the human body, NAD+ has been detected, but not quantified in, several different foods, such as garden tomato, devilfish, saffrons, cloud ear fungus, and bog bilberries. This could make NAD+ a potential biomarker for the consumption of these foods. NAD is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Molecular FormulaC21H27N7O14P2
Average Mass663.43000
Monoisotopic Mass663.10910
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number53-84-9
SMILESNC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
InChI IdentifierInChI=1S/C21H27N7O14P2/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/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChI KeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
CHEBI IDCHEBI:57540
State1
Water SolubilityNot Available
logSNot Available
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)Not Available
Hydrogen Acceptor CountNot Available
Hydrogen Donor CountNot Available
Rotatable Bond CountNot Available
Physiological ChargeNot Available
Formal ChargeNot Available
PolarizabilityNot Available

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