Chemical Components in the PDB

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ZGM : Summary

Code

ZGM

One-letter code

X

Molecule name

(4S)-4-hydroxy-2-oxoheptanedioic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (4S)-4-hydroxy-2-oxoheptanedioic acid
OpenEye OEToolkits 2.0.7 4-oxidanyl-2-oxidanylidene-heptanedioic acid

Formula

C7 H10 O6

Formal charge

0

Molecular weight

190.151 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(CC(O)CCC(O)=O)C(=O)O
SMILES CACTVS 3.385 O[CH](CCC(O)=O)CC(=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(CC(=O)O)C(CC(=O)C(=O)O)O
Canonical SMILES CACTVS 3.385 O[C@@H](CCC(O)=O)CC(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(CC(=O)O)C(CC(=O)C(=O)O)O

IUPAC InChI

InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m0/s1

IUPAC InChI key

HNOAJOYERZTSNK-BYPYZUCNSA-N
ZGM

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-04-20

Last modified at

2021-07-09

Status

Released

Obsoleted

Not Assigned