RefMet Compound Details

MW structure	37109 (View MW Metabolite Database details)
RefMet name	Alanine
Systematic name	(2S)-2-aminopropanoic acid
SMILES	C[C@@H](C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	89.047679 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C3H7NO2	View other entries in RefMet with this formula
InChI	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKey	QNAYBMKLOCPYGJ-REOHCLBHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Pubchem CID	5950
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Alanine

Rxn ID	KEGG Reaction	Enzyme
R03038	ATP + L-Alanine + tRNA(Ala) <=> AMP + Diphosphate + L-Alanyl-tRNA	L-Alanine:tRNA(Ala) ligase (AMP-forming)
R00400	L-Alanine + Oxaloacetate <=> Pyruvate + L-Aspartate	L-alanine:oxaloacetate aminotransferase
R00369	L-Alanine + Glyoxylate <=> Pyruvate + Glycine	L-Alanine:glyoxylate aminotransferase
R00396	L-Alanine + NAD+ + H2O <=> Pyruvate + Ammonia + NADH + H+	L-alanine:NAD+ oxidoreductase (deaminating)
R00258	L-Alanine + 2-Oxoglutarate <=> Pyruvate + L-Glutamate	L-Alanine:2-oxoglutarate aminotransferase

Table of KEGG human pathways containing Alanine

Pathway ID	Human Pathway	# of reactions
hsa00250	Alanine, aspartate and glutamate metabolism	2
hsa01100	Metabolic pathways	2
hsa00220	Arginine biosynthesis	1
hsa01200	Carbon metabolism	1
hsa01230	Biosynthesis of amino acids	1
hsa00970	Aminoacyl-tRNA biosynthesis	1
hsa00450	Selenocompound metabolism	1