Chemical Components in the PDB

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DO2 : Summary

Code

DO2

One-letter code

X

Molecule name

5,5-dihydroxy-6-oxo-L-norleucine

Systematic names

ProgramVersionName
ACDLabs 12.01 5,5-dihydroxy-6-oxo-L-norleucine
OpenEye OEToolkits 1.7.0 (2S)-2-azanyl-5,5-dihydroxy-6-oxo-hexanoic acid

Formula

C6 H11 N O5

Formal charge

0

Molecular weight

177.155 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=CC(O)(O)CCC(N)C(=O)O
SMILES CACTVS 3.370 N[CH](CCC(O)(O)C=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(CC(C=O)(O)O)C(C(=O)O)N
Canonical SMILES CACTVS 3.370 N[C@@H](CCC(O)(O)C=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C(CC(C=O)(O)O)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C6H11NO5/c7-4(5(9)10)1-2-6(11,12)3-8/h3-4,11-12H,1-2,7H2,(H,9,10)/t4-/m0/s1

IUPAC InChI key

GRXWCZHHLRJOLV-BYPYZUCNSA-N
DO2

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2000-01-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned