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- ChemComp-13D: 1,3-DIAMINOPROPANE -

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Basic information

EntryDatabase: PDB chemical components / ID: 13D
NameName: 1,3-diaminopropane

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Chemical information

Composition
Formula: C3H10N2 / Number of atoms: 15 / Formula weight: 74.125 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: 13D
History
Create componentApr 4, 2005
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / Metabolights / 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 10.04NCCCN
CACTVS 3.341NCCCN
OpenEye OEToolkits 1.5.0C(CN)CN

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SMILES CANONICAL

CACTVS 3.341NCCCN
OpenEye OEToolkits 1.5.0C(CN)CN

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InChI

InChI 1.03InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2

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InChIKey

InChI 1.03XFNJVJPLKCPIBV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04propane-1,3-diamine
OpenEye OEToolkits 1.5.0propane-1,3-diamine

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PDB entries

Showing all 6 items

PDB-2f8w:
Crystal structure of d(CACGTG)2

PDB-4arx:
Lepidoptera-specific toxin Cry1Ac from Bacillus thuringiensis ssp. kurstaki HD-73

PDB-4ary:
Lepidopteran-specific toxin Cry1Ac in complex with receptor specificity determinant GalNAc

PDB-4xqc:
Crystal Structure of the Homospermidine Synthase (HSS) from Blastochloris viridis in Complex with NAD and 1,3-diaminopropane.

PDB-8a0g:
Human deoxyhypusine synthase with trapped transition state

PDB-8a9n:
Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP

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