C2R

5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID


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Chemical Component Summary

Name5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
SynonymsCAIR; 4-CARBOXY-5-AMINOIMIDAZOLE RIBONUCLEOTIDE
Identifiers5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylic acid
FormulaC9 H14 N3 O9 P
Molecular Weight339.196
TypeNON-POLYMER
Isomeric SMILESc1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O
InChIInChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1
InChIKeyXFVULMDJZXYMSG-ZIYNGMLESA-N

Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count4
Bond Count37
Aromatic Bond Count5

Related Resource References

Resource NameReference
PubChem 165388
ChEBI CHEBI:28413