Chemical Components in the PDB

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WF1 : Summary

Code

WF1

One-letter code

X

Molecule name

17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid
OpenEye OEToolkits 2.0.7 2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethanoylamino]ethoxy]ethoxy]ethanoic acid

Formula

C12 H24 N2 O7

Formal charge

0

Molecular weight

308.328 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(OCCOCC(O)=O)CNC(COCCOCCN)=O
SMILES CACTVS 3.385 NCCOCCOCC(=O)NCCOCCOCC(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(COCCOCC(=O)NCCOCCOCC(=O)O)N
Canonical SMILES CACTVS 3.385 NCCOCCOCC(=O)NCCOCCOCC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(COCCOCC(=O)NCCOCCOCC(=O)O)N

IUPAC InChI

InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)

IUPAC InChI key

YQZVQKYXWPIKIX-UHFFFAOYSA-N
WF1

wwPDB Information

Atom count

45 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-10-23

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned