Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110069
Identification Name:
1,2-dihydro-β-NADP Description: Not Available
Structure
Synonyms:
2-dihydro-nicotinamide adenine dinucleotide phosphate
2DHNADP
Chemical Formula:
C21 H26 N7 O17 P3
Average Molecular Weight:
745.0911021051 Monoisotopic Molecular
Weight:
745.0911021051 InChI Key:
SNZSFAQYVLPEBZ-NNYOXOHSSA-J InChI:
InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-3,7-8,10-11,13-16,20-21,29-31H,4-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/p-4/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))CC(=CC=5)C(=O)N)
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as (5'-\u003e5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'-\u003e5')-phosphodiester linkage.
Kingdom
Organic compounds Super Class Nucleosides, nucleotides, and analogues
Class
(5'-\u003e5')-dinucleotides Sub Class Not Available
Direct Parent
(5'-\u003e5')-dinucleotides Alternative Parents
Substituents
(5'-\u003e5')-dinucleotide Purine nucleotide sugar Purine ribonucleoside 2',5'-bisphosphate Purine ribonucleoside bisphosphate Purine ribonucleoside diphosphate Nicotinamide-nucleotide Pentose phosphate Pentose-5-phosphate N-glycosyl compound Glycosyl compound N-substituted nicotinamide Monosaccharide phosphate Organic pyrophosphate 6-aminopurine Imidazopyrimidine Purine Aminopyrimidine Dihydropyridine Pyrimidine Imidolactam Organic phosphoric acid derivative N-substituted imidazole Monosaccharide Alkyl phosphate Hydropyridine Phosphoric acid ester Imidazole Heteroaromatic compound Tetrahydrofuran Azole Secondary alcohol Amino acid or derivatives Primary carboxylic acid amide Carboxamide group Oxacycle Azacycle Organoheterocyclic compound Carboxylic acid derivative Enamine Organic oxygen compound Organopnictogen compound Amine Organic oxide Carbonyl group Hydrocarbon derivative Primary amine Alcohol Organooxygen compound Organonitrogen compound Organic nitrogen compound Organic anion Aromatic heteropolycyclic compound Molecular Framework
Aromatic heteropolycyclic compounds External Descriptors
Not Available
Physical Properties State:
Not Available Charge: Not Available
Melting point:
Not Available Experimental Properties:
Not Available Predicted Properties
Biological Properties Cellular Locations:
Not Available Reactions:
Pathways:
Spectra Spectra:
Not Available
References References:
Not Available Synthesis Reference:
Not Available Material Safety Data Sheet (MSDS)
Not Available
Links External Links:
This project is supported by
the University of Maryland ,
School of Pharmacy ,
Mass Spectrometry Center , a Waters Center of Excellence. The center is an NIH-investigator funded research and core facility that supports a wide range of cutting-edge metabolomic studies. The Center is supported through a center grant from the University of Maryland and NIH grants to its members. The PAMDB project is affiliated with
The Metabolomics Innovation Centre (TMIC) a leading metabolomics research and service center funded through Genome Alberta, Genome British Columbia and Genome Canada.
