Chemical Components in the PDB

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CCU : Summary

Code

CCU

One-letter code

X

Molecule name

(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID

Synonyms

CIS,CIS-MUCONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2Z,4Z)-hexa-2,4-dienedioic acid
OpenEye OEToolkits 1.5.0 (2Z,4Z)-hexa-2,4-dienedioic acid

Formula

C6 H6 O4

Formal charge

0

Molecular weight

142.109 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)\C=C/C=C\C(=O)O
SMILES CACTVS 3.341 OC(=O)C=CC=CC(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(=CC(=O)O)C=CC(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)/C=C\C=C/C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(=C/C(=O)O)/C=C\C(=O)O

IUPAC InChI

InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-

IUPAC InChI key

TXXHDPDFNKHHGW-CCAGOZQPSA-N
CCU

wwPDB Information

Atom count

16 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-12-09

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned