Chemical Components in the PDB

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BMT : Summary

Code

BMT

One-letter code

T

Molecule name

4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE

Systematic names

ProgramVersionName
ACDLabs 12.01 4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid
OpenEye OEToolkits 1.7.2 (E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-oct-6-enoic acid

Formula

C10 H19 N O3

Formal charge

0

Molecular weight

201.263 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(NC)C(O)C(C/C=C/C)C
SMILES CACTVS 3.370 CN[CH]([CH](O)[CH](C)CC=CC)C(O)=O
SMILES OpenEye OEToolkits 1.7.2 CC=CCC(C)C(C(C(=O)O)NC)O
Canonical SMILES CACTVS 3.370 CN[C@@H]([C@H](O)[C@H](C)C\C=C\C)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 C/C=C/C[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O

IUPAC InChI

InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1

IUPAC InChI key

AHQFCPOIMVMDEZ-UNISNWAASA-N
BMT

wwPDB Information

Atom count

33 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

THR

Defined at

1999-07-08

Last modified at

2011-10-21

Status

Released

Obsoleted

Not Assigned