 |
ORD : Summary
Code 
|
ORD
|
One-letter code 
|
X
|
Molecule name 
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D-ORNITHINE
|
Systematic names 
|
|
Formula 
|
C5 H12 N2 O2
|
Formal charge 
|
0
|
Molecular weight 
|
132.161 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(N)CCCN |
SMILES
|
CACTVS |
3.352 |
NCCC[CH](N)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.6.1 |
C(CC(C(=O)O)N)CN |
Canonical SMILES
|
CACTVS |
3.352 |
NCCC[C@@H](N)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.6.1 |
C(C[C@H](C(=O)O)N)CN |
|
IUPAC InChI  | InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1 |
IUPAC InChI key  | AHLPHDHHMVZTML-SCSAIBSYSA-N |
|
wwPDB Information |
Atom count 
|
21 (9 without Hydrogen)
|
Polymer type 
|
Amino Acid
|
Type description 
|
D-PEPTIDE LINKING
|
Type code 
|
ATOMP
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
|
Defined at 
|
2010-09-08
|
Last modified at 
|
2011-06-04
|
Status 
|
Released
|
Obsoleted 
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Not Assigned
|
|