Chemical Components in the PDB

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ENO : Summary

Code

ENO

One-letter code

X

Molecule name

3-(4-HYDROXY-PHENYL)PYRUVIC ACID

Synonyms

HPP

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(4-hydroxyphenyl)-2-oxopropanoic acid
OpenEye OEToolkits 1.5.0 3-(4-hydroxyphenyl)-2-oxo-propanoic acid

Formula

C9 H8 O4

Formal charge

0

Molecular weight

180.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(=O)Cc1ccc(O)cc1
SMILES CACTVS 3.341 OC(=O)C(=O)Cc1ccc(O)cc1
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1CC(=O)C(=O)O)O
Canonical SMILES CACTVS 3.341 OC(=O)C(=O)Cc1ccc(O)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1CC(=O)C(=O)O)O

IUPAC InChI

InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)

IUPAC InChI key

KKADPXVIOXHVKN-UHFFFAOYSA-N
ENO

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned