Chemical Components in the PDB

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OLN : Summary

Code

OLN

One-letter code

X

Molecule name

(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID

Synonyms

N-ACETYL-L-CITRULLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~2~-acetyl-N~5~-carbamoyl-L-ornithine
OpenEye OEToolkits 1.5.0 (2S)-2-acetamido-5-(aminocarbonylamino)pentanoic acid

Formula

C8 H15 N3 O4

Formal charge

0

Molecular weight

217.222 Da

SMILES

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

IUPAC InChI

InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1

IUPAC InChI key

WMQMIOYQXNRROC-LURJTMIESA-N
OLN

wwPDB Information

Atom count

30 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-01-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned