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FOP : Summary
Code
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FOP
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One-letter code
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X
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Molecule name
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2-HYDROXY-PROPYL-AMMONIUM
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Synonyms
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F-LOOP OF VITAMIN B12
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Systematic names
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Formula
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C3 H10 N O
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Formal charge
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1
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Molecular weight
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76.118 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
OC(C)C[NH3+] |
SMILES
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CACTVS |
3.341 |
C[CH](O)C[NH3+] |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C[NH3+])O |
Canonical SMILES
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CACTVS |
3.341 |
C[C@@H](O)C[NH3+] |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@H](C[NH3+])O |
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IUPAC InChI | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m1/s1 |
IUPAC InChI key | HXKKHQJGJAFBHI-GSVOUGTGSA-O |
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wwPDB Information |
Atom count
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15 (5 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2001-04-11
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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