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nicotinate-adenine dinucleotide phosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM95396

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₂₁H₂₃N₆O₁₈P₃

charge

-4

mass

740.03036

reference

chebi:75967

InChIKey

QOTXBMGJKFVZRD-HISDBWNOSA-J

InChI

InChI=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-4/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

SMILES

Nc1ncnc2c1ncn2[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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75967 chebi:75967	nicotinate-adenine dinucleotide phosphate NAADP(4+) nicotinate-adenine dinucleotide phosphate(4-)
seed.compound:cpd09365 seedM:cpd09365	NAADP NAADP+ Nicotinate-adenine dinucleotide phosphate Nicotinic acid adenine dinucleotide phosphate nicotinate adenine dinucleotide phosphate nicotinate-adenine dinucleotide phosphate nicotinic acid adenine dinucleotide phosphate
sabiork.compound:15079 sabiorkM:15079	Nicotinic acid adenine dinucleotide phosphate NAADP
kegg.compound:C13051 keggC:C13051	Nicotinic acid adenine dinucleotide phosphate NAADP Nicotinate-adenine dinucleotide phosphate
metacyc.compound:CPD-15009 metacycM:CPD-15009	nicotinate-adenine dinucleotide phosphate NAADP NAADP+ nicotinate adenine dinucleotide phosphate nicotinic acid adenine dinucleotide phosphate
reactome:R-ALL-2730676 reactomeM:R-ALL-2730676 CHEBI:76072 chebi:76072	nicotinic acid-adenine dinucleotide phosphate 2'-O-phosphonoadenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate} NAADP NAADP(1+) NAADP+ nicotinic acid-adenine dinucleotide phosphate(1+)
chebi:31906 keggC:M_C13051 seedM:M_cpd09365	secondary/obsolete/fantasy identifier