Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: Ca2+

Synonyms: Ca+2, Ca++, calcium ion

Superclasses: an ion a cation

Component of:
calcium chloride dihydrate
calcium pantothenate
calcium nitrate tetrahydrate
calcium chloride

Chemical Formula: Ca

Molecular Weight: 40.08 Daltons

Monoisotopic Molecular Weight: 39.9625912 Daltons

SMILES: [Ca++]

InChI: InChI=1S/Ca/q+2

InChIKey: InChIKey=BHPQYMZQTOCNFJ-UHFFFAOYSA-N

Unification Links: ChEBI:29108 , ChemSpider:266 , HMDB:HMDB00464 , IAF1260:33764 , KEGG:C00076 , MetaboLights:MTBLC29108 , PubChem:271

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -1.2482376 Inferred by computational analysis [Latendresse13]

In Transport reactions:
Ca2+[plastid stroma] + ATP + H2O ↔ Ca2+[cytosol] + ADP + phosphate + H+ ,
Ca2+[in] + ATP + H2O ↔ Ca2+[out] + ADP + phosphate + H+ ,
Ca2+[out] + ATP + H2O ↔ Ca2+[in] + ADP + phosphate + H+ ,
Ca2+[cytosol]Ca2+[periplasmic space] ,
Ca2+[periplasmic space]Ca2+[cytosol]

Enzymes activated by Ca2+, sorted by the type of activation, are:

Activator (Allosteric) of: polyvinyl alcohol dehydrogenase [Hatanaka95] , cobinamide adenosyltransferase [Buan06] , glycerol-3-phosphate dehydrogenase [MacDonald96] , phosphorylase kinase [Farrar91] , phosphorylase kinase [Farrar91] , malonate semialdehyde:NADP+ oxidoreductase (malonate semialdehyde-forming) [Hugler02] , pyruvic oxime dioxygenase [Ono96] , diacetyl reductase [Takusagawa01] , methanol dehydrogenase , dihydroxyacetone kinase [Daniel95a] , (S)-acetoin reductase [(S,S)-2,3-butanediol forming] [Takusagawa01] , L-2,4-diaminobutyrate decarboxylase [Yamamoto92]

Activator (Mechanism unknown) of: GDP-mannose 4,6-dehydratase [Sturla97] , glutaminase B [Prusiner76] , D-mannonate oxidoreductase [Portalier72] , adenosylmethionine decarboxylase [Lu07] , pyruvate kinase [Comment 1] , phosphoenolpyruvate carboxykinase (ATP) [Goldie80a, Sudom03] , benzodiazepinedione prenyltransferase [Yin09] , caffeoyl-CoA 3-O-methyltransferase [Ibdah03] , caffeoylglucose 3-O-methyltransferase [Ibdah03] , caffeate 3-O-methyltransferase [Ibdah03] , quercetin 3'-O-methyltransferase [Ibdah03] , gossypetin 8-methyl ester 3'-O-methyltransferase [Ibdah03] , gossypetin 8-O-methyltransferase [Ibdah03] , laricitrin 5'-O-methyltransferase [Ibdah03] , myricetin 3'-O-methyltransferase [Ibdah03] , patuletin 3'-O-methyltransferase [Ibdah03] , quercetagetin 6O-methyltransferase [Ibdah03] , quercetin 7-O-glucosyltransferase [Stich] , gossypetin 7-O-glucosyltransferase [Stich] , cellobiose 2-epimerase [Taguchi08] , luteolin-7-O-glucuronide 2''-O-glucuronosyltransferase [Schulz88a] , luteolin 7-O-glucuronosyltransferase [Schulz88a] , synephrine dehydratase [Manne86] , glycerophosphocholine cholinephosphodiesterase [Sugimori13] , ginsenoside Rb1 20-O-glucosidase [Yu09] , ginsenoside Rb3 20-O-xylosidase [Yu09] , ginsenoside Rc 20-O arabinosidase [Yu09] , ginsenoside Rb2 20-O arabinosidase [Yu09] , protopanaxadiol ginsenoside 20-O-diglycoside glycosidase [Yu09] , NADH kinase [Shi05c] , NAD(+) kinase [Shi05c] , D-fructose-6-phosphate cytidylyltransferase [Wang12a] , omega-hydroxypalmitate O-feruloyl transferase [Rautengarten12] , UDPG:ginsenoside Rd glucosyltransferase [Yue05] , phosphatidylinositol 4,5-bisphosphate lipase C [Melin92] , phosphatidylinositol 4-phosphate phospholipase C [Melin92] , nicotine dehydrogenase [Tang09] , pseudoroxynicotine dehydrogenase [Tang09] , pullulanase [Dong97] , Cystic fibrosis transmembrane conductance regulator [Namkung03] , manganese-oxidizing peroxidase [Johnson08] , manganese-oxidizing peroxidase [Anderson09] , CDP reductase [Jordan97] , 7-methylxanthine demethylase [Gluck88] , 2-dehydro-3-deoxy-D-gluconate 5-dehydrogenase [Condemine84] , peptidoglycan glycosyltransferase [Barrett05] , inositol 1,4,5-trisphosphate 3-kinase [Dewaste00] , 1-D-myo-inositol-1,4,5-trisphosphate 3-kinase [Dewaste02] , 1-D-myo-inositol-trisphosphate 3-kinase [Takazawa91] , phosphatidylinositol-4,5-bisphosphate 3-kinase [Arcaro98] , 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase [Park92] , 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase , 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase [Ozdener02a] , ε-N-trimethyllysine hydroxylase [Sachan80] , iminodiacetate dehydrogenase [Uetz93] , vitexin β-glucosyltransferase [Heinsbroek80] , feruloyl-CoA:tyramine N-(hydroxycinnamoyl)transferase [Hohlfeld95] , acetylpyruvate hydrolase [Davey75] , phospholipase D [Fan99] , phospholipase D [Fan99] , phospholipase D [Wang01g] , UDP-N-acetylglucosamine: dolichyl diphosphate N-acetylglucosamine, N-acetylglucosamine transferase [Sharma82] , ceramide kinase [Liang03] , 4-diphosphocytidyl-2C-methyl-D-erythritol synthase [Rohdich00a] , acyl-CoA hydrolase (medium chain) [Alexson88] , acyl-CoA hydrolase (short chain) [Alexson88] , cis-4-hydroxy-D-proline dehydrogenase [Yoneya61]

Enzymes inhibited by Ca2+, sorted by the type of inhibition, are:

Inhibitor (Competitive) of: ribose-phosphate diphosphokinase [Bower89, Willemoes97] , inorganic pyrophosphatase [Avaeva00] , enolase [Miernyk84]

Inhibitor (Noncompetitive) of: enolase [Miernyk84]

Inhibitor (Mechanism unknown) of: phosphatidylglycerophosphate synthase [Hirabayashi76] , UDP-3-O-(R-3-hydroxymyristoyl)-glucosamine N-acyltransferase [Bartling08] , deoxyribose 1,5-phosphomutase [HammerJespersen70] , 2-methylisocitrate lyase [Brock01] , adenine phosphoribosyltransferase [Hochstadt78a] , hypoxanthine phosphoribosyltransferase [Hochstadt78] , isocitrate lyase , pyruvate kinase [Comment 2] , acetoacetyl-[acp] reductase [Price04] , glycerol dehydrogenase [Tang79] , adenylate cyclase [Yang83a, Comment 3] , adenosine-3'(2'),5'-bisphosphate nucleotidase [Mechold06] , diacylglycerol kinase [Walsh92] , RNase I endoribonuclease [Loskot78] , RNase I endoribonuclease [Loskot78] , acid phosphatase / phosphotransferase [Thaller97] , inorganic triphosphatase [Kohn12] , phosphodiesterase, c-di-GMP-specific [Schmidt05] , GTP cyclohydrolase [Weisberg86] , lyso-phosphatidylethanolaminelipase [Merkel05] , pyruvate kinase [deZwaan75] , ecdysone 22-kinase [Sonobe06] , phosphoribosylpyrophosphate amidotransferase [Satyanarayana71] , 3,7,4'-trimethylquercetagetin 6-O-methyltransferase [De85] , 3-O-methylquercetin 7-O-methyltransferase [Khouri88] , 3,7-dimethylquercetagetin 6-O-methyltransferase [De85] , 3,7,3'-methylquercetagetin 6-O-methyltransferase [De85] , thiobenzoate-S-methyltransferase [Zhao12] , 4-oxalocrotonate tautomerase [Orii06] , 2-protocatechuoylphloroglucinolcarboxylate esterase [Child63] , poly(3-hydroxyoctanoate) depolymerase [deEugenio07] , farnesoic acid carboxyl methyltransferase [Yang06b] , glycocholate hydrolase [Tanaka00] , phosphatidate phosphatase [Wu96a] , phosphatidylinositol synthase [Antonsson94] , N-acetylneuraminate-9-phosphate phosphatase [Maliekal06] , N-acetylneuraminate-9-phosphate phosphatase [Maliekal06] , 27-O-demethyl-rifamycin SV methyltransferase [Xu03] , nitrilotriacetate monooxygenase [Uetz92] , tetrahydroprotoberberine cis-N-methyltransferase [Liscombe07] , pyruvate kinase [Singh98] , S-formylglutathione hydrolase [Uotila74] , ethanolaminephosphotransferase [Goode99] , histidinol dehydrogenase [Nagai91a] , L-lysine-α-ketoglutarate reductase [Hutzler75] , ethanolamine kinase [Macher76] , benzoyl-coenzyme A:benzyl alcohol benzoyltransferase [DAuria02] , Ins(1,3,4,5,6)P5 2-kinase [Phillippy94] , 2-pyrazoline synthase [Brown90] , pyrazolidine synthase [Brown90] , L-carnitine dehydrogenase [Mori88] , CDP-diacylglycerol glycerol-3-phosphate 3-phosphatidyltransferase [Muller01] , cholinephosphotransferase [Goode99] , cholinephosphotransferase [Goode99] , 3-hydroxybenzoate-Coenzyme A ligase [Barillas00] , pyrazole synthase [Brown90] , CDP-choline:1,2-diacylglycerol cholinephosphotransferase [Goode99] , phosphoribosylpyrophosphate amidotransferase [Satyanarayana71] , UDP-glucuronate decarboxylase [Harper02] , CDP-ethanolamine:1,2-diacyl-sn-glycerol ethanolaminephosphotransferase [Goode99] , ethanolamine N-methyltransferase [Prudhomme92] , 2-phospho-3-sulfolactate phosphohydrolase [Graham01] , pectin methyltransferase [Ishikawa00a] , β-phosphoglucomutase [Belocopitow74] , sucrose 3-dehydrogenase [Hayano67] , CDP-choline:1,2-diacyl-sn-glycerol cholinephosphotransferase [Goode99] , S-adenosyl-L-methionine: (S)-scoulerine-9-O-methyltransferase [Sato93] , δ-aminovaleramidase [Reitz70] , phosphatidylglycerolphosphate synthase [Muller01] , L-3-aminobutyryl coenzyme A deaminase [Jeng74] , catechol O-methyltransferase [Jeffery84] , glutamate synthase [Schreier84] , α-D-galactosyl-(1-3)-1D-myo-inositol:raffinose galactosyltransferase [Gaudreault81]

Inhibitor (Other types) of: D-sorbitol dehydrogenase [Yamaguchi94a]

This compound has been characterized as a cofactor or prosthetic group of the following enzymes: glycerophosphoryl diester phosphodiesterase, periplasmic , peptidoglycan glycosyltransferase , NADH:ubiquinone oxidoreductase , DNA endonuclease , acyl-CoA thioesterase , lysophospholipase , uridine nucleosidase , aldose sugar dehydrogenase , α-amylase , lipid kinase , β-L-arabinobiosidase , pectate trisaccharide-lyase , cytochrome c peroxidase , nucleoside triphosphate diphosphohydrolase , nucleoside diphosphate phosphohydrolase , ATP diphosphohydrolase , ADP phosphohydrolase , UTP diphosphohydrolase , phosphatidyl-N-methylethanolamine N-methyltransferase , neocarratetraose 4-O-monosulfate β-hydrolase , α-agarase , α-agarase , protein kinase , UDP phosphatase , UDP phosphatase , phospholipase D , phospholipase A2 , phospholipase C , phospholipase C , cellulose 1,4-β-cellobiosidase (non-reducing end) , cellulase , rhamnogalacturonan exolyase , cyclodextrinase , cyclodextrin glucanotransferase , peroxygenase , myeloperoxidase , L-threo-3-hydroxy aspartate dehydratase , gelatinase A , Activated factor Xa heavy chain , pectate lyase , pectate lyase , pectate lyase , pyidine-3-aldoxime dehydratase , alcohol dehydrogenase , glucose dehydrogenase , alcohol dehydrogenase , pseudolysin , cytidine 5'-monophosphate N-acetylneuraminate synthetase , lignin peroxidase , lignin peroxidase , lignin peroxidase , lignin peroxidase , lignin peroxidase , lignin peroxidase , lignin peroxidase , lignin peroxidase , lignin peroxidase , manganese peroxidase , DMOHA isomerase/4-hydroxy-2-keto-5-methyl-6-oxo-3-hexenoate hydrolase , phospholipase A2 , phospholipase A2 , methanol dehydrogenase , peptidylarginine deiminase , peptidylarginine deiminase , peptidylarginine deiminase , peptidylarginine deiminase , nitric-oxide synthase , nitric-oxide synthase , methanol dehydrogenase


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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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