Chemical Components in the PDB

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BJU : Summary

Code

BJU

One-letter code

X

Molecule name

N-tetradecanoylglycine

Systematic names

ProgramVersionName
ACDLabs 12.01 N-tetradecanoylglycine
OpenEye OEToolkits 2.0.6 2-(tetradecanoylamino)ethanoic acid

Formula

C16 H31 N O3

Formal charge

0

Molecular weight

285.422 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(CCCC(=O)NCC(O)=O)CCCCCCCCC
SMILES CACTVS 3.385 CCCCCCCCCCCCCC(=O)NCC(O)=O
SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCCCCCCC(=O)NCC(=O)O
Canonical SMILES CACTVS 3.385 CCCCCCCCCCCCCC(=O)NCC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCCCCCCC(=O)NCC(=O)O

IUPAC InChI

InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)

IUPAC InChI key

DYUGTPXLDJQBRB-UHFFFAOYSA-N
BJU

wwPDB Information

Atom count

51 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-02-07

Last modified at

2024-03-22

Status

Released

Obsoleted

Not Assigned