|
PRO : Summary
Code
|
PRO
|
One-letter code
|
P
|
Molecule name
|
PROLINE
|
Systematic names
|
|
Formula
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C5 H9 N O2
|
Formal charge
|
0
|
Molecular weight
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115.13 Da
|
SMILES
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C1NCCC1 |
SMILES
|
CACTVS |
3.341 |
OC(=O)[CH]1CCCN1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1CC(NC1)C(=O)O |
Canonical SMILES
|
CACTVS |
3.341 |
OC(=O)[C@@H]1CCCN1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1C[C@H](NC1)C(=O)O |
|
IUPAC InChI | InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 |
IUPAC InChI key | ONIBWKKTOPOVIA-BYPYZUCNSA-N |
Is part of |
RA4
, S33
, S00
, S04
, ZPR
, K7J
, TIF
, X8Z
, S49
, RA8
, VPF
, S28
, SLC
, S54
, M31
, P0H
, S29
|
|
wwPDB Information |
Atom count
|
17 (8 without Hydrogen)
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Polymer type
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Amino Acid
|
Type description
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L-PEPTIDE LINKING
|
Type code
|
ATOMP
|
Is modified
|
No
|
Standard parent
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Not Assigned
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Defined at
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1999-07-08
|
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
|
|