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- ChemComp-FOP: 2-HYDROXY-PROPYL-AMMONIUM -

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Basic information

EntryDatabase: PDB chemical components / ID: FOP
NameName: 2-hydroxy-propyl-ammonium / Synonyms: F-LOOP OF VITAMIN B12

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Chemical information

Composition
Formula: C3H10NO / Number of atoms: 15 / Formula weight: 76.118 / Formal charge: 1
Others

1id8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FOP / Model coordinates PDB-ID: 1ID8
History
Create componentApr 11, 2001
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / ChEBI / Metabolights / PubChem / Rhea / 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 10.04OC(C)C[NH3+]
CACTVS 3.341C[CH](O)C[NH3+]
OpenEye OEToolkits 1.5.0CC(C[NH3+])O

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SMILES CANONICAL

CACTVS 3.341C[C@@H](O)C[NH3+]
OpenEye OEToolkits 1.5.0C[C@H](C[NH3+])O

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InChI

InChI 1.03InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m1/s1

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InChIKey

InChI 1.03HXKKHQJGJAFBHI-GSVOUGTGSA-O

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SYSTEMATIC NAME

ACDLabs 10.04(2R)-2-hydroxypropan-1-aminium
OpenEye OEToolkits 1.5.0[(2R)-2-hydroxypropyl]azanium

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PDB entries

Showing all 1 items

PDB-1id8:
NMR STRUCTURE OF GLUTAMATE MUTASE (B12-BINDING SUBUNIT) COMPLEXED WITH THE VITAMIN B12 NUCLEOTIDE

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