Chemical Components in the PDB

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MYQ : Summary

Code

MYQ

One-letter code

X

Molecule name

(S)-(1,2-DICARBOXYETHYLTHIO)GOLD

Systematic names

ProgramVersionName
ACDLabs 10.04 gold(1+) (1S)-1,2-dicarboxyethanethiolate
OpenEye OEToolkits 1.5.0 [(2S)-1,4-dihydroxy-1,4-dioxo-butan-2-yl]sulfanylgold

Formula

C4 H5 Au O4 S

Formal charge

0

Molecular weight

346.112 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CC(S[Au])C(=O)O
SMILES CACTVS 3.341 OC(=O)C[CH](S[Au])C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)S[Au])C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)C[C@H](S[Au])C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](C(=O)O)S[Au])C(=O)O

IUPAC InChI

InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-1/t2-;/m0./s1

IUPAC InChI key

XJHSMFDIQHVMCY-DKWTVANSSA-M
MYQ

wwPDB Information

Atom count

15 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-07

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned