RefMet Compound Details

MW structure37839 (View MW Metabolite Database details)
RefMet namePhosphocreatine
Systematic name2-(1-methyl-3-phosphonocarbamimidamido)acetic acid
SMILESCN(CC(O)=O)C(=N)NP(O)(O)=O
Exact mass211.035810 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC4H10N3O5PView other entries in RefMet with this formula
InChIInChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
InChIKeyDRBBFCLWYRJSJZ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID9548602
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving Phosphocreatine

Rxn IDKEGG ReactionEnzyme
R01881 ATP + Creatine <=> ADP + PhosphocreatineATP:creatine N-phosphotransferase

Table of KEGG human pathways containing Phosphocreatine

Pathway IDHuman Pathway# of reactions
hsa00330 Arginine and proline metabolism 1
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