Chemical Components in the PDB

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7DH : Summary

Code

7DH

One-letter code

X

Molecule name

(3E)-5-hydroxy-2-oxopent-3-enoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (3E)-5-hydroxy-2-oxopent-3-enoic acid
OpenEye OEToolkits 2.0.6 5-oxidanyl-2-oxidanylidene-pent-3-enoic acid

Formula

C5 H6 O4

Formal charge

0

Molecular weight

130.099 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(O)\C=C\C(C(=O)O)=O
SMILES CACTVS 3.385 OCC=CC(=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C(C=CC(=O)C(=O)O)O
Canonical SMILES CACTVS 3.385 OC\C=C\C(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C(C=CC(=O)C(=O)O)O

IUPAC InChI

InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h1-2,6H,3H2,(H,8,9)/b2-1+

IUPAC InChI key

NQCOHZOKLYGXBP-OWOJBTEDSA-N
7DH

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-10-10

Last modified at

2018-02-16

Status

Released

Obsoleted

Not Assigned