Metabolomics Structure Database

 
MW REGNO: 63698
Common Name:2-hydroxy-AMP
Systematic Name:2-hydroxyadenosine 5'-(dihydrogen phosphate)
Synonyms:2-hydroxyadenosine 5'-phosphate; isoguanosine 5'-monophosphate [PubChem Synonyms]
Exact Mass:
363.0580 (neutral)    Calculate m/z:
Formula:C10H14N5O8P
InChIKey:CGCGQFDYTLYDPF-UUOKFMHZSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Purine nucleotides [C0001506]
ClassyFire subclass:Purine ribonucleotides [C0001544]
ClassyFire direct parent:Purine ribonucleoside monophosphates [C0001617]
SMILES:C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)nc(nc23)O)O1)O)O)OP(=O)(O)O
Studies:-

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External database links:

PubChem CID:14212362
CHEBI ID:65129

Calculated physicochemical properties (?):

Heavy Atoms: 24  
Rings: 3  
Aromatic Rings: 2  
Rotatable Bonds: 4  
van der Waals Molecular volume: 257.27 Å3 molecule-1  
Toplogical Polar Sufrace Area: 208.37 Å2 molecule-1  
Hydrogen Bond Donors: 6  
Hydrogen Bond Acceptors: 12  
logP: -0.67  
Molar Refractivity: 77.07  
Fraction sp3 Carbons: 0.50  
sp3 Carbons: 5  

Human Pathway links:

REACTOME pathways containing this metabolite

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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