Chemical Components in the PDB

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ORD : Summary

Code

ORD

One-letter code

X

Molecule name

D-ORNITHINE

Systematic names

ProgramVersionName
ACDLabs 10.04 D-ornithine
OpenEye OEToolkits 1.6.1 (2R)-2,5-diaminopentanoic acid

Formula

C5 H12 N2 O2

Formal charge

0

Molecular weight

132.161 Da

SMILES

TypeProgramVersionDescriptor
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
ORD

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

Not Assigned