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Formamidopyrimidine nucleoside triphosphate

PropertiesImage
MNX_IDMNXM1103590 Image of MNXM1103590
referencekeggC:C05922
formulaC10H18N5O15P3
global charge0
mol weight541.196
InChIKeyNDXMRXXKCCKQQV-UUOKFMHZSA-N
InChIInChI=1S/C10H18N5O15P3/c11-10-14-7(4(12-2-16)8(19)15-10)13-9-6(18)5(17)3(28-9)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,12,16)(H,23,24)(H,25,26)(H2,20,21,22)(H4,11,13,14,15,19)/t3-,5-,6-,9-/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(NC=O)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C10H18N5O15P3/c11-10-14-7(4(12-2-16)8(19)15-10)13-9-6(18)5(17)3(28-9)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,12,16)(H,23,24)(H,25,26)(H2,20,21,22)(H4,11,13,14,15,19)/t3-,5-,6-,9-/m1/s1 Image of MNXM1103590
SMILES (mnx)[CH2:1]([C@@H:3]1[C@@H:5]([OH:17])[C@@H:6]([OH:18])[C@H:9]([NH:13][C:7]2=[C:4]([N:12]=[CH:2][OH:16])[C:8]([OH:19])=[N:15][C:10](=[NH:11])[NH:14]2)[O:28]1)[O:27][P:32]([OH:23])(=[O:24])[O:30][P:33]([OH:25])(=[O:26])[O:29][P:31]([OH:20])([OH:21])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:HC01651
biggM:HC01651
seed.compound:cpd03518
seedM:cpd03518
kegg.compound:C05922
keggC:C05922
NDXMRXXKCCKQQV-UUOKFMHZSA-K
NDXMRXXKCCKQQV-UUOKFMHZSA-N 		Formamidopyrimidine nucleoside triphosphate
hmdb:HMDB0006822
NDXMRXXKCCKQQV-UUOKFMHZSA-N 		Formamidopyrimidine nucleoside triphosphate
({[(2R,3S,4R,5R)-5-[(2-amino-5-formamido-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-amino-5-formamido-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Formamidopyrimidine nucleoside triphosphoric acid

vmhM:HC01651
vmhmetabolite:HC01651
NDXMRXXKCCKQQV-UUOKFMHZSA-J 		Formamidopyrimidine nucleoside triphosphate
({[({[(2R,3S,4R,5R)-5-[(2-amino-5-formamido-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

sabiork.compound:1849
sabiorkM:1849
NDXMRXXKCCKQQV-UUOKFMHZSA-N 		Formamidopyrimidine nucleoside triphosphate
2-Amino-5-formylamino-6-ribosylamino-4(3H)-pyrimidinone 5'-triphosphate

hmdb:HMDB06822
biggM:M_HC01651
keggC:M_C05922
seedM:M_cpd03518
vmhM:M_HC01651 		secondary/obsolete/fantasy identifier