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- ChemComp-XAP: 3-AMINOOXY-1-AMINOPROPANE -

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Basic information

EntryDatabase: PDB chemical components / ID: XAP
NameName: 3-aminooxy-1-aminopropane

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Chemical information

Composition
Formula: C3H10N2O / Number of atoms: 16 / Formula weight: 90.124 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: XAP / Ideal coordinates details: OpenEye/OEToolkits V1.4.2
History
Create componentJan 25, 2007
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / CompTox / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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(N)CCCN
CACTVS 3.341NCCCON
OpenEye OEToolkits 1.5.0C(CN)CON

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SMILES CANONICAL

CACTVS 3.341NCCCON
OpenEye OEToolkits 1.5.0C(CN)CON

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InChI

InChI 1.03InChI=1S/C3H10N2O/c4-2-1-3-6-5/h1-5H2

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InChIKey

InChI 1.03VSZFWDPIWSPZON-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-(aminooxy)propan-1-amine
OpenEye OEToolkits 1.5.0O-(3-aminopropyl)hydroxylamine

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PDB entries

Showing all 3 items

PDB-2on3:
A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane

PDB-2oo0:
A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane

PDB-7s3f:
Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with its inhibitor 1-amino-oxy-3-aminopropane

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