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CHEBI:72951 - N-[(7,8-dihydropterin-6-yl)methyl]-4-(β-D-ribofuranosyl)aniline 5'-phosphate(2−)

ChEBI IDCHEBI:72951
ChEBI NameN-[(7,8-dihydropterin-6-yl)methyl]-4-(β-D-ribofuranosyl)aniline 5'-phosphate(2−)
Stars
ASCII NameN-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate(2-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of N-[(7,8-dihydropterin-6-yl)methyl]-4-(β-D-ribofuranosyl)aniline 5'-phosphate.
Last Modified3 April 2013
SubmitterKAX
DownloadsMolfile
FormulaC18H21N6O8P
Net Charge-2
Average Mass480.374
Monoisotopic Mass480.11695
SMILESNc1nc2c(c(=O)n1)N=C(CNc1ccc([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)cc1)CN2
InChIInChI=1S/C18H23N6O8P/c19-18-23-16-12(17(27)24-18)22-10(6-21-16)5-20-9-3-1-8(2-4-9)15-14(26)13(25)11(32-15)7-31-33(28,29)30/h1-4,11,13-15,20,25-26H,5-7H2,(H2,28,29,30)(H4,19,21,23,24,27)/p-2/t11-,13-,14-,15+/m1/s1
InChIKeyVNLUYZYZRAWLHI-NGFQHRJXSA-L
ChEBI Ontology
Outgoing Relation(s)
N-[(7,8-dihydropterin-6-yl)methyl]-4-(β-D-ribofuranosyl)aniline 5'-phosphate(2−) (CHEBI:72951) is a organophosphate oxoanion (CHEBI:58945)
N-[(7,8-dihydropterin-6-yl)methyl]-4-(β-D-ribofuranosyl)aniline 5'-phosphate(2−) (CHEBI:72951) is conjugate base of N-[(7,8-dihydropterin-6-yl)methyl]-4-(β-D-ribofuranosyl)aniline 5'-phosphate (CHEBI:73084)
Incoming Relation(s)
N-[(7,8-dihydropterin-6-yl)methyl]-4-(β-D-ribofuranosyl)aniline 5'-phosphate (CHEBI:73084) is conjugate acid of N-[(7,8-dihydropterin-6-yl)methyl]-4-(β-D-ribofuranosyl)aniline 5'-phosphate(2−) (CHEBI:72951)
IUPAC Name 
(1S)-1-(4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol
UniProt Name  Source
N-[(7,8-dihydropterin-6-yl)methyl]-4-(β-D-ribofuranosyl)aniline 5'-phosphateUniProt
Manual XrefsDatabases
CPD-10766MetaCyc
Citations