Creatine
PubChem CID: 586
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| Compound Synonyms | creatine, 57-00-1, Creatin, Kreatin, N-amidinosarcosine, Krebiozon, N-methyl-N-guanylglycine, 2-(1-Methylguanidino)acetic acid, methylglycocyamine, Glycine, N-(aminoiminomethyl)-N-methyl-, Creatine, hydrate, Pyrolysate, Creatine, anhydrous, (alpha-Methylguanido)acetic acid, Cosmocair C 100, N-carbamimidoyl-N-methylglycine, 2-(1-methylcarbamimidamido)acetic acid, Kreatinum, Neotine, Methylguanidoacetic acid, N-(aminoiminomethyl)-N-methylglycine, alpha-Methylguanidino acetic acid, NSC 8752, NSC-8752, UNII-MU72812GK0, A-MEethyl guanidine acetic acid, CHEBI:16919, AI3-15320, HSDB 7336, MU72812GK0, (.alpha.-Methylguanido)acetic acid, (N-methylcarbamimidamido)acetic acid, EINECS 200-306-6, ((amino(imino)methyl)(methyl)amino)acetic acid, MFCD00004282, N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE, DTXSID1040451, NSC8752, EC 200-306-6, 2-(N-methylcarbamimidamido)acetic acid, N-(Aminoiminomethyl)-N-methyl-glycine, CREATINE (II), CREATINE [II], CREATINE (USP-RS), CREATINE [USP-RS], (N-(AMIDINO)-N-METHYLAMINO)ACETIC ACID, N-(amino(imino)methyl)-N-methylglycine, N-[amino(imino)methyl]-N-methylglycine, Creatine (8CI), ((amino(imino)methyl)(methyl)amino)acetate, [[Amino(imino)methyl](methyl)amino]acetate, 2-[carbamimidoyl(methyl)amino]acetic acid, [[Amino(imino)methyl](methyl)amino]acetic acid, N-((E)-AMINO(IMINO)METHYL)-N-METHYLGLYCINE, Kre-Alkalyn, Methylguanidoacetate, IOM, CREATINE [HSDB], CREATINE [MI], CREATINE [VANDF], bmse000078, bmse000950, bmse000999, CREATINE [WHO-DD], (alpha-Methylguanido)acetate, (a-Methylguanido)acetic acid, SCHEMBL21567, Creatine, hydrate (Salt/Mix), CHEMBL283800, GTPL4496, DTXCID9020451, STR05570, BBL012187, BDBM50357229, s5588, STL163516, AKOS005717096, CCG-266112, CS-W011104, DB00148, FC01727, HY-W010388, Creatine, anhydrous, >=99.0% (NT), NCGC00371407-01, AC-34370, N-Guanyl-N-methylglycine, N-Amidinosarcosine, C3610, NS00009931, C00300, D89574, EN300-1692957, [[Amino(imino)methyl](methyl)amino]acetic acid #, Q223600, BRD-K19615002-001-02-3, F8880-7830, Z1203577925, 1093737-19-9, 200-306-6 |
|---|---|
| Topological Polar Surface Area | 90.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Pathway Kegg Map Id | map00330, map00260 |
| Description | Creatine is a essential, non-proteinaceous amino acid found in all animals and in some plants. Creatine is synthesized in the kidney, liver and pancreas from L-arginine, glycine and L-methionine. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P50440, P17540, P12277, P12532, P06732 |
| Uniprot Id | Q14353, P50440, P17540, P12277, P12532, P06732, O76082, P48029, P54821, Q02535 |
| Iupac Name | 2-[carbamimidoyl(methyl)amino]acetic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -1.2 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C4H9N3O2 |
| Inchi Key | CVSVTCORWBXHQV-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | ((amino(imino)methyl)(methyl)amino)acetate, ((amino(imino)methyl)(methyl)amino)acetic acid, (a-Methylguanido)acetate, (a-Methylguanido)acetic acid, (alpha-methylguanido)acetate, (alpha-methylguanido)acetic acid, (N-Methylcarbamimidamido)acetate, (n-methylcarbamimidamido)acetic acid, (α-methylguanido)acetate, (α-methylguanido)acetic acid, [[amino(Imino)methyl](methyl)amino]acetate, [[amino(Imino)methyl](methyl)amino]acetic acid, 2-(carbamimidoyl-methylamino)acetic acid, a-Methylguanidino acetate, a-Methylguanidino acetic acid, Agen, alpha-Methylguanidino acetate, Alpha-methylguanidino acetic acid, Cosmocair C 100, Creatin, Creatine (8CI), Creatine hydrate, Creatine, hydrate, Kreatin, Krebiozon, Methylglycocyamine, Methylguanidinoacetic acid, Methylguanidoacetate, Methylguanidoacetic acid, N-(aminoiminomethyl)-n-methyl-glycine, N-(aminoiminomethyl)-n-methylglycine, N-[(e)-amino(imino)methyl]-n-methylglycine, N-[amino(imino)methyl]-n-methylglycine, N-amidinosarcosine, N-carbamimidoyl-n-methylglycine, N-methyl-n-guanylglycine, Phosphagen, Pyrolysate, α-methylguanidino acetate, α-methylguanidino acetic acid, ((Amino(imino)methyl)(methyl)amino)acetic acid, (alpha-Methylguanido)acetic acid, (N-Methylcarbamimidamido)acetic acid, alpha-Methylguanidino acetic acid, N-(Aminoiminomethyl)-N-methylglycine, N-[(e)-AMINO(imino)methyl]-N-methylglycine, N-Amidinosarcosine, N-Carbamimidoyl-N-methylglycine, N-Methyl-N-guanylglycine, ((Amino(imino)methyl)(methyl)amino)acetate, (alpha-Methylguanido)acetate, (Α-methylguanido)acetate, (Α-methylguanido)acetic acid, Α-methylguanidino acetate, Α-methylguanidino acetic acid, N-(Aminoiminomethyl)-N-methyl-glycine, [[Amino(imino)methyl](methyl)amino]acetate, [[Amino(imino)methyl](methyl)amino]acetic acid |
| Substituent Name | Alpha-amino acid or derivatives, Tertiary amine, Guanidine, Carboximidamide, Monocarboxylic acid or derivatives, Carboxylic acid, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Imine, Carbonyl group, Amine, Aliphatic acyclic compound |
| Compound Name | Creatine |
| Kingdom | Organic compounds |
| Exact Mass | 131.069 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 131.069 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 131.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) |
| Smiles | CN(CC(=O)O)C(=N)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alpha amino acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all