|
LY0 : Summary
Code
|
LY0
|
One-letter code
|
X
|
Molecule name
|
(2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
|
Systematic names
|
|
Formula
|
C6 H14 N O4 P
|
Formal charge
|
0
|
Molecular weight
|
195.153 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.352 |
C[CH](N)[P](O)(=O)C[CH](C)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
CC(CP(=O)(C(C)N)O)C(=O)O |
Canonical SMILES
|
CACTVS |
3.352 |
C[C@H](N)[P](O)(=O)C[C@H](C)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O |
|
IUPAC InChI | InChI=1S/C6H14NO4P/c1-4(6(8)9)3-12(10,11)5(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t4-,5+/m0/s1 |
IUPAC InChI key | XXVGIEKADYFHOF-CRCLSJGQSA-N |
|
wwPDB Information |
Atom count
|
26 (12 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2010-02-26
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|