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- ChemComp-CRN: N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: CRN
NameName: N-[(E)-amino(imino)methyl]-N-methylglycine / Synonyms: CREATINE

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Chemical information

Composition
Formula: C4H9N3O2 / Number of atoms: 18 / Formula weight: 131.133 / Formal charge: 0
Others

1v7z

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CRN / Model coordinates PDB-ID: 1V7Z
History
Create componentDec 30, 2003
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)CN(C(=[N@H])N)C
CACTVS 3.341CN(CC(O)=O)C(N)=N
OpenEye OEToolkits 1.5.0CN(CC(=O)O)C(=N)N

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SMILES CANONICAL

CACTVS 3.341CN(CC(O)=O)C(N)=N
OpenEye OEToolkits 1.5.0CN(CC(=O)O)C(=N)N

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InChI

InChI 1.03InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)

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InChIKey

InChI 1.03CVSVTCORWBXHQV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-carbamimidoyl-N-methylglycine
OpenEye OEToolkits 1.5.02-(carbamimidoyl-methyl-amino)ethanoic acid

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PDB entries

Showing all 6 items

PDB-1v7z:
creatininase-product complex

PDB-3a6j:
E122Q mutant creatininase complexed with creatine

PDB-3b6r:
Crystal structure of Human Brain-type Creatine Kinase

PDB-9b0t:
Cryo-EM structure of E227Q variant of uMtCK1 in complex with transition state analog

PDB-9b0u:
Cryo-EM structure of E227Q variant of uMtCK1 incubated with ADP and phosphocreatine at pH 8.0

PDB-9b14:
Cryo-EM structure of human uMtCK1 in complex with transition state analog

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