Chemical Components in the PDB

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DTL : Summary

Code

DTL

One-letter code

X

Molecule name

L-TREITOL

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S,3S)-butane-1,2,3,4-tetrol
OpenEye OEToolkits 1.7.6 (2S,3S)-butane-1,2,3,4-tetrol

Formula

C4 H10 O4

Formal charge

0

Molecular weight

122.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(C(C(CO)O)O)O
SMILES CACTVS 3.385 OC[CH](O)[CH](O)CO
SMILES OpenEye OEToolkits 1.7.6 C(C(C(CO)O)O)O
Canonical SMILES CACTVS 3.385 OC[C@H](O)[C@@H](O)CO
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H]([C@H](CO)O)O)O

IUPAC InChI

InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1

IUPAC InChI key

UNXHWFMMPAWVPI-IMJSIDKUSA-N
DTL

wwPDB Information

Atom count

18 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-07-03

Last modified at

2015-06-01

Status

Released

Obsoleted

Not Assigned