Chemical Components in the PDB

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ILO : Summary

Code

ILO

One-letter code

X

Molecule name

N5-IMINOETHYL-L-ORNITHINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~5~-[(1E)-ethanimidoyl]-L-ornithine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-5-(ethanimidoylamino)pentanoic acid

Formula

C7 H15 N3 O2

Formal charge

0

Molecular weight

173.213 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCNC(=[N@H])C
SMILES CACTVS 3.341 CC(=N)NCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(=N)NCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CC(=N)NCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=N)NCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1

IUPAC InChI key

UYZFAUAYFLEHRC-LURJTMIESA-N
ILO

wwPDB Information

Atom count

27 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-02-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned