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Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt

PropertiesImage
MNX_IDMNXM1584385 Image of MNXM1584385
referencehmdb:HMDB0246919
formulaC21H28N7O17P3
global charge0
mol weight743.409
InChIKeyXJLXINKUBYWONI-UHFFFAOYSA-N
InChIInChI=1S/C21H28N7O17P3/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/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)
SMILESNC(=O)c1ccc[n+](C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1
MNX internals
InChI (mnx)InChI=1/C21H28N7O17P3/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/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10?,11?,13?,14?,15?,16?,20?,21? Image of MNXM1584385
SMILES (mnx)[cH:1]1[cH:2][c:9]([C:18]([NH2:23])=[O:32])[cH:4][n+:27]([CH:20]2[CH:15]([OH:31])[CH:13]([OH:29])[CH:10]([CH2:5][O:40][P:47](=[O:36])([O-:37])[O:45][P:48](=[O:38])([OH:39])[O:41][CH2:6][CH:11]3[CH:14]([OH:30])[CH:16]([O:44][P:46](=[O:33])([OH:34])[OH:35])[CH:21]([n:28]4[cH:8][n:26][c:12]5[c:17]([NH2:22])[n:24][cH:7][n:25][c:19]54)[O:43]3)[O:42]2)[cH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1563
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0246919
XJLXINKUBYWONI-UHFFFAOYSA-N 		Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt
1-(5-{[({[5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl)-3-carbamoyl-1lambda⁵-pyridin-1-ylium
b-Nicotinamide adenine dinucleotide phosphate
b-Nicotinamide adenine dinucleotide phosphoric acid
beta-Nicotinamide adenine dinucleotide phosphoric acid
beta-nadp
beta-nicotinamide adenine dinucleotide phosphate
beta-nicotinamide adenine dinucleotide phosphoric acid

vmhM:nadp
vmhM:nadp
vmhmetabolite:nadp
vmhmetabolite:nadp
XJLXINKUBYWONI-UHFFFAOYSA-K 		Nicotinamide adenine dinucleotide phosphate
Adenine-nicotinamide dinucleotide phosphate
Codehydrase II
Codehydrogenase II
Coenzyme II
Cozymase II
Dinucleotide phosphate, nicotinamide-adenine
NAD phosphate
NADP+
NADPH
Nicotinamide adenine dinucleotide phosphate
Nicotinamide adenine dinucleotide phosphoric acid
Nicotinamide-adenine dinucleotide phosphate
Nucleotide, triphosphopyridine
Oxidized nicotinamide-adenine dinucleotide phosphate
Oxidized nicotinamide-adenine dinucleotide phosphoric acid
Phosphate, nicotinamide-adenine dinucleotide
TPN
Triphosphopyridine nucleotide
b-NADP
b-NADP+
b-Nicotinamide adenine dinucleotide phosphate
b-Nicotinamide adenine dinucleotide phosphoric acid
b-TPN
beta-NADP
beta-NADP+
beta-Nicotinamide adenine dinucleotide phosphate
beta-Nicotinamide adenine dinucleotide phosphoric acid
beta-TPN
beta-nadp+
beta-nicotinamide adenine dinucleotide phosphate
beta-nicotinamide adenine dinucleotide phosphoric acid

vmhM:M_nadp 		secondary/obsolete/fantasy identifier