Chemical Components in the PDB

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LTM : Summary

Code

LTM

One-letter code

X

Molecule name

N-ACETYL GLUCONOLACTAM

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxopiperidin-3-yl]acetamide
OpenEye OEToolkits 1.6.1 N-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxo-piperidin-3-yl]ethanamide

Formula

C8 H14 N2 O5

Formal charge

0

Molecular weight

218.207 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NC(CO)C(O)C(O)C1NC(=O)C
SMILES CACTVS 3.352 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)NC1=O
SMILES OpenEye OEToolkits 1.6.1 CC(=O)NC1C(C(C(NC1=O)CO)O)O
Canonical SMILES CACTVS 3.352 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)NC1=O
Canonical SMILES OpenEye OEToolkits 1.6.1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O

IUPAC InChI

InChI=1S/C8H14N2O5/c1-3(12)9-5-7(14)6(13)4(2-11)10-8(5)15/h4-7,11,13-14H,2H2,1H3,(H,9,12)(H,10,15)/t4-,5-,6-,7-/m1/s1

IUPAC InChI key

DLGBPZFGIMUEIM-DBRKOABJSA-N
LTM

wwPDB Information

Atom count

29 (15 without Hydrogen)

Polymer type

Saccharide

Type description

SACCHARIDE

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2010-07-22

Last modified at

2011-07-29

Status

Released

Obsoleted

Not Assigned