Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:58:39 UTC
Update Date2022-08-12 20:09:24 UTC
Metabolite IDMMDBc0055549
Metabolite Identification
Common Name5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide
Descriptionphosphoribulosylformimino-AICAR-P belongs to the class of organic compounds known as 1-ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond. phosphoribulosylformimino-AICAR-P is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on phosphoribulosylformimino-AICAR-P.
Structure
Synonyms
ValueSource
5-[(5-Phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamideChEBI
5-[(5-Phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-b-D-ribosyl)imidazole-4-carboxamideGenerator
5-[(5-Phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-β-D-ribosyl)imidazole-4-carboxamideGenerator
Molecular FormulaC15H21N5O15P2
Average Mass573.303
Monoisotopic Mass573.053133312
IUPAC Name(2R,3R)-5-{[({4-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-5-yl}amino)methylidene]amino}-2,3-dihydroxy-4-oxopentyl phosphate
Traditional Name(2R,3R)-5-{[({5-carbamoyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}amino)methylidene]amino}-2,3-dihydroxy-4-oxopentyl phosphate
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(COP([O-])([O-])=O)[C@@]([H])(O)C(=O)CN=CNC1=C(N=CN1[C@]1([H])O[C@]([H])(COP([O-])([O-])=O)[C@@]([H])(O)[C@@]1([H])O)C(N)=O
InChI Identifier
InChI=1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/p-4/t7-,8-,10+,11-,12-,15-/m1/s1
InChI KeyBLKFNHOCHNCLII-GHVQHMAVSA-J