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- ChemComp-N2H: (4-azanylbutylamino)methanediol -

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Basic information

EntryDatabase: PDB chemical components / ID: N2H
NameName: (4-azanylbutylamino)methanediol / Synonyms: N-(dihydroxymethyl)putrescine

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Chemical information

Composition
Formula: C5H14N2O2 / Number of atoms: 23 / Formula weight: 134.177 / Formal charge: 0
Others

5h8i

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: N2H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5H8I
History
Create componentDec 31, 2015
Initial releaseApr 20, 2016
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / PubChem / 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

CACTVS 3.385NCCCCNC(O)O
OpenEye OEToolkits 2.0.4C(CCNC(O)O)CN

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SMILES CANONICAL

CACTVS 3.385NCCCCNC(O)O
OpenEye OEToolkits 2.0.4C(CCNC(O)O)CN

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InChI

InChI 1.03InChI=1S/C5H14N2O2/c6-3-1-2-4-7-5(8)9/h5,7-9H,1-4,6H2

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InChIKey

InChI 1.03JXQFUOSMIWOVKO-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-5h8i:
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) in complex with N-(dihydroxymethyl)putrescine

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