Chemical Components in the PDB

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SUO : Summary

Code

SUO

One-letter code

X

Molecule name

N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE

Synonyms

N~2~-SUCCINYLORNITHINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~2~-(3-carboxypropanoyl)-L-ornithine
OpenEye OEToolkits 1.5.0 (2S)-5-amino-2-[(4-hydroxy-4-oxo-butanoyl)amino]pentanoic acid

Formula

C9 H16 N2 O5

Formal charge

0

Molecular weight

232.234 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC(C(=O)O)CCCN)CCC(=O)O
SMILES CACTVS 3.341 NCCC[CH](NC(=O)CCC(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CC(C(=O)O)NC(=O)CCC(=O)O)CN
Canonical SMILES CACTVS 3.341 NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN

IUPAC InChI

InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1

IUPAC InChI key

VWXQFHJBQHTHMK-LURJTMIESA-N
SUO

wwPDB Information

Atom count

32 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-02-04

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned