Chemical Components in the PDB

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DMT : Summary

Code

DMT

One-letter code

X

Molecule name

3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-6-OCTENOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-4-methyl-2-(methylamino)-D-arabinonic acid
OpenEye OEToolkits 1.5.0 (E,2S,3R)-3-hydroxy-4,4-dimethyl-2-methylamino-oct-6-enoic acid

Formula

C11 H21 N O3

Formal charge

0

Molecular weight

215.289 Da

SMILES

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

IUPAC InChI

InChI=1S/C11H21NO3/c1-5-6-7-11(2,3)9(13)8(12-4)10(14)15/h5-6,8-9,12-13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9-/m0/s1

IUPAC InChI key

NPTONCQMXQFBMD-MUNZNRDXSA-N
DMT

wwPDB Information

Atom count

36 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned