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- ChemComp-SPE: THERMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: SPE
NameName: thermine

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Chemical information

Composition
Formula: C9H24N4 / Number of atoms: 37 / Formula weight: 188.314 / Formal charge: 0
Others

319d

Type: NON-POLYMER / PDB classification: HETAI / Three letter code: SPE / Model coordinates PDB-ID: 319D
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 10.04NCCCNCCCNCCCN
CACTVS 3.341NCCCNCCCNCCCN
OpenEye OEToolkits 1.5.0C(CN)CNCCCNCCCN

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SMILES CANONICAL

CACTVS 3.341NCCCNCCCNCCCN
OpenEye OEToolkits 1.5.0C(CN)CNCCCNCCCN

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InChI

InChI 1.03InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2

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InChIKey

InChI 1.03ZAXCZCOUDLENMH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N,N'-bis(3-aminopropyl)propane-1,3-diamine
OpenEye OEToolkits 1.5.0N-[3-(3-aminopropylamino)propyl]propane-1,3-diamine

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PDB entries

Showing all 4 items

PDB-319d:
CRYSTAL STRUCTURES OF D(CCGGG(BR)5CCCGG)-ORTHOGONAL FORM

PDB-5ib7:
Structure of T. thermophilus 70S ribosome complex with mRNA, tRNAfMet, near-cognate tRNALys with U-G mismatch in the A-site and antibiotic paromomycin

PDB-5ib8:
Structure of T. thermophilus 70S ribosome complex with mRNA, tRNAfMet and near-cognate tRNALys with U-G mismatch in the A-site

PDB-5ibb:
Structure of T. thermophilus 70S ribosome complex with mRNA, tRNAfMet and cognate tRNAVal in the A-site

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