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2,5-diamino-6-ribosylamino-4(3H)pyrimidinone 5'-triphosphate

PropertiesImage
MNX_IDMNXM1102965 Image of MNXM1102965
referencechebi:929
formulaC9H18N5O14P3
global charge0
mol weight513.186
InChIKeyCRXOALRUOMUPMC-UMMCILCDSA-N
InChIInChI=1S/C9H18N5O14P3/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(26-8)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2,4-5,8,15-16H,1,10H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,11,12,13,14,17)/t2-,4-,5-,8-/m1/s1
SMILESNC1=NC(N[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)=C(N)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C9H18N5O14P3/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(26-8)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2,4-5,8,15-16H,1,10H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,11,12,13,14,17)/t2-,4-,5-,8-/m1/s1 Image of MNXM1102965
SMILES (mnx)[CH2:1]([C@@H:2]1[C@@H:4]([OH:15])[C@@H:5]([OH:16])[C@H:8]([NH:12][C:6]2=[C:3]([NH2:10])[C:7]([OH:17])=[N:14][C:9](=[NH:11])[NH:13]2)[O:26]1)[O:25][P:30]([OH:21])(=[O:22])[O:28][P:31]([OH:23])(=[O:24])[O:27][P:29]([OH:18])([OH:19])=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:929
chebi:929
CRXOALRUOMUPMC-UMMCILCDSA-N 		2,5-diamino-6-ribosylamino-4(3H)pyrimidinone 5'-triphosphate
2,5-Diaminopyrimidine nucleoside triphosphate
2,5-diamino-3,4-dihydro-4-oxo-6-(5-triphosphoribosylamino)pyrimidine
N-(2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-yl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-ribofuranosylamine

bigg.metabolite:HC01652
biggM:HC01652
seed.compound:cpd03519
seedM:cpd03519
kegg.compound:C05923
keggC:C05923
CRXOALRUOMUPMC-UMMCILCDSA-J
CRXOALRUOMUPMC-UMMCILCDSA-K
CRXOALRUOMUPMC-UMMCILCDSA-N 		2,5-Diaminopyrimidine nucleoside triphosphate
hmdb:HMDB0006821
CRXOALRUOMUPMC-UMMCILCDSA-N 		2,5-Diaminopyrimidine nucleoside triphosphate
({[(2R,3S,4R,5R)-5-[(2,5-diamino-6-oxo-1H-pyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
({[({[(2R,3S,4R,5R)-5-[(2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
2,5-Diamino-3,4-dihydro-4-oxo-6-(5-triphosphoribosylamino)pyrimidine
2,5-Diaminopyrimidine nucleoside triphosphoric acid

vmhM:HC01652
vmhmetabolite:HC01652
CRXOALRUOMUPMC-UMMCILCDSA-J 		2,5-Diaminopyrimidine nucleoside triphosphate
({[({[(2R,3S,4R,5R)-5-[(2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

hmdb:HMDB06821
biggM:M_HC01652
keggC:M_C05923
seedM:M_cpd03519
vmhM:M_HC01652 		secondary/obsolete/fantasy identifier