EcoDrugPlus


Synonyms	2-Oxopropanoate Pyruvate
Status
Molecule Category	Free-form
UNII	8558G7RUTR
EPA CompTox	DTXSID2021650

Synonyms

2-Oxopropanoate

Pyruvate

Status

Molecule Category

Free-form

UNII

8558G7RUTR

EPA CompTox

DTXSID2021650


InChI Key	LCTONWCANYUPML-UHFFFAOYSA-N
Smiles	CC(=O)C(=O)O
InChI	InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

InChI Key

LCTONWCANYUPML-UHFFFAOYSA-N

Smiles

CC(=O)C(=O)O

InChI

InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

Property Name	Value
Molecular Formula	C3H4O3
Molecular Weight	88.06
AlogP	-0.34
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	54.37
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	6.0

Property Name

Value

Molecular Formula

C3H4O3

Molecular Weight

88.06

AlogP

-0.34

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

54.37

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

6.0

Resources	Reference
ChEBI	32816
ChEMBL	CHEMBL1162144
DrugBank	DB00119
FDA SRS	8558G7RUTR
Human Metabolome Database	HMDB0000243
Guide to Pharmacology	4809
KEGG	C00022
PDB	PYR
PharmGKB	PA164778686
SureChEMBL	SCHEMBL1750
ZINC	ZINC000001532517

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

HMDB0000243

Guide to Pharmacology

KEGG

PDB

PharmGKB

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PYRUVATE

Structure

Physicochemical Descriptors

Cross References