Chemical Components in the PDB

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D8Z : Summary

Code

D8Z

One-letter code

X

Molecule name

Artemether

Systematic names

Not Assigned

Formula

C16 H26 O5

Formal charge

0

Molecular weight

298.375 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CO[CH]1O[CH]2O[C]3(C)CC[CH]4[CH](C)CC[CH]([CH]1C)[C]24OO3
SMILES OpenEye OEToolkits 2.0.6 CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C
Canonical SMILES CACTVS 3.385 CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C

IUPAC InChI

InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1

IUPAC InChI key

SXYIRMFQILZOAM-HVNFFKDJSA-N
D8Z

wwPDB Information

Atom count

47 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-01-10

Last modified at

2019-01-11

Status

Released

Obsoleted

Not Assigned