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PHE : Summary
Code
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PHE
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One-letter code
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F
|
Molecule name
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PHENYLALANINE
|
Systematic names
|
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Formula
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C9 H11 N O2
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Formal charge
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0
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Molecular weight
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165.189 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(N)Cc1ccccc1 |
SMILES
|
CACTVS |
3.341 |
N[CH](Cc1ccccc1)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)CC(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@@H](Cc1ccccc1)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)C[C@@H](C(=O)O)N |
|
IUPAC InChI | InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 |
IUPAC InChI key | COLNVLDHVKWLRT-QMMMGPOBSA-N |
Is part of |
XJ8
, R9B
, VSC
, YVY
, S89
, RS8
, JKU
, YVP
, QFG
, IWQ
, X32
|
|
wwPDB Information |
Atom count
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23 (12 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-PEPTIDE LINKING
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Type code
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ATOMP
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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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1999-07-08
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Last modified at
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2023-11-03
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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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