CHEBI:76072 - nicotinic acid-adenine dinucleotide phosphate

ChEBI IDCHEBI:76072
ChEBI Namenicotinic acid-adenine dinucleotide phosphate
Stars
DefinitionA nicotinic acid dinucleotide that is NADP+ in which the carboxamide group on the pyridine ring is replaced by a carboxy group.
Secondary ChEBI IDCHEBI:31906
Last Modified28 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC21H28N6O18P3
Net Charge+1
Average Mass745.401
Monoisotopic Mass745.06674
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O
InChIInChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChIKeyQOTXBMGJKFVZRD-HISDBWNOSA-O
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
calcium channel agonist  Agents that increase calcium influx into calcium channels of excitable tissues.
signalling molecule  A molecular messenger in which the molecule is specifically involved in transmitting information between cells. Such molecules are released from the cell sending the signal, cross over the gap between cells by diffusion, and interact with specific receptors in another cell, triggering a response in that cell by activating a series of enzyme controlled reactions which lead to changes inside the cell.
ChEBI Ontology
Outgoing Relation(s)
nicotinic acid-adenine dinucleotide phosphate (CHEBI:76072) has functional parent NADP+ (CHEBI:18009)
nicotinic acid-adenine dinucleotide phosphate (CHEBI:76072) has role calcium channel agonist (CHEBI:38807)
nicotinic acid-adenine dinucleotide phosphate (CHEBI:76072) has role metabolite (CHEBI:25212)
nicotinic acid-adenine dinucleotide phosphate (CHEBI:76072) has role signalling molecule (CHEBI:62488)
nicotinic acid-adenine dinucleotide phosphate (CHEBI:76072) is a nicotinic acid dinucleotide (CHEBI:37584)
nicotinic acid-adenine dinucleotide phosphate (CHEBI:76072) is conjugate acid of nicotinate-adenine dinucleotide phosphate(4−) (CHEBI:75967)
Incoming Relation(s)
nicotinate-adenine dinucleotide phosphate(4−) (CHEBI:75967) is conjugate base of nicotinic acid-adenine dinucleotide phosphate (CHEBI:76072)
IUPAC Name 
2'-O-phosphonoadenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
Synonyms  Source
NAADPMetaCyc
NAADP+MetaCyc
NAADP(1+)ChEBI
nicotinic acid-adenine dinucleotide phosphate(1+)ChEBI
Manual XrefsDatabases
C00007537KNApSAcK
C13051KEGG COMPOUND
CPD-15009MetaCyc
DN4PDBeChem
Registry NumbersSources
Reaxys:9981819Reaxys
CAS:5502-96-5KEGG COMPOUND
Citations