RefMet Compound Details

MW structure	50967 (View MW Metabolite Database details)
RefMet name	Homocysteine
Systematic name	2-amino-4-sulfanylbutanoic acid
SMILES	C(CS)[C@@H](C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	135.035401 (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	C4H9NO2S	View other entries in RefMet with this formula
InChI	InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKey	FFFHZYDWPBMWHY-VKHMYHEASA-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	91552
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Homocysteine

Rxn ID	KEGG Reaction	Enzyme
R00192	S-Adenosyl-L-homocysteine + H2O <=> Adenosine + L-Homocysteine	S-Adenosyl-L-homocysteine hydrolase
R02821	Betaine + L-Homocysteine <=> N,N-Dimethylglycine + L-Methionine	Trimethylaminoacetate:L-homosysteine S-methyltransferase
R01290	L-Serine + L-Homocysteine <=> L-Cystathionine + H2O	L-serine hydro-lyase (adding homocysteine
R00946	5-Methyltetrahydrofolate + L-Homocysteine <=> Tetrahydrofolate + L-Methionine	5-Methyltetrahydrofolate:L-homocysteine S-methyltransferase
R00650	S-Adenosyl-L-methionine + L-Homocysteine <=> S-Adenosyl-L-homocysteine + L-Methionine	S-Adenosyl-L-methionine:L-homocysteine S-methyltransferase
R04405	5-Methyltetrahydropteroyltri-L-glutamate + L-Homocysteine <=> Tetrahydropteroyltri-L-glutamate + L-Methionine	5-Methyltetrahydropteroyltri-L-glutamate:L-homocysteine S-methyltransferase
R10305	O-Acetyl-L-serine + L-Homocysteine <=> L-Cystathionine + Acetate	O3-acetyl-L-serine:L-homocysteine S-(2-amino-2-carboxyethyl)transferase
R01286	L-Cystathionine + H2O <=> L-Homocysteine + Ammonia + Pyruvate	L-cystathionine L-homocysteine-lyase (deaminating

Table of KEGG human pathways containing Homocysteine

Pathway ID	Human Pathway	# of reactions
hsa00270	Cysteine and methionine metabolism	6
hsa00260	Glycine, serine and threonine metabolism	2
hsa01100	Metabolic pathways	2
hsa01230	Biosynthesis of amino acids	2
hsa00670	One carbon pool by folate	1