Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110502
Identification Name:
cyclic ADP-ribose Description: Not Available
Structure
Synonyms:
cADPR
cyclic adenosine diphosphate ribose
N 1 -(β-D-ribosyl)adenosine 5'(P1),5''(P2)-cyclic diphosphate
Chemical Formula:
C15 H20 N5 O13 P2
Average Molecular Weight:
542.0689338395 Monoisotopic Molecular
Weight:
542.0689338395 InChI Key:
RSEFDAKYCYLNIE-KEOHHSTQSA-M InChI:
InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27,28)/p-1/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: C4(OP([O-])(=O)OP(OCC1(C(O)C(O)C(O1)N2(C=NC3(C2=NC=[N+](C(N)=3)C5(OC4C(O)C(O)5)))))([O-])=O)
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
Kingdom
Organic compounds Super Class Organic oxygen compounds
Class
Organooxygen compounds Sub Class Carbohydrates and carbohydrate conjugates
Direct Parent
Pentose phosphates Alternative Parents
Substituents
Pentose phosphate Pentose-5-phosphate 6-aminopurine Monosaccharide phosphate Organic pyrophosphate Imidazopyrimidine Purine Aminopyrimidine N-substituted imidazole Organic phosphoric acid derivative Pyrimidine Azole Imidazole Heteroaromatic compound Tetrahydrofuran Secondary alcohol Oxacycle Azacycle Organoheterocyclic compound Polyol Amine Alcohol Organic nitrogen compound Hydrocarbon derivative Organic oxide Primary amine Organonitrogen compound Organopnictogen 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.
