EcoDrugPlus


Synonyms	Apple acid D,l-malic acid Dl-malic acid E-296 E296 FEMA NO. 2655 Hydroxybutanedioic acid Hydroxybutanedioic acid, (-)- Hydroxysuccinnic acid (-) INS NO. 296 INS NO.296 INS-296 L-malate L-malic acid Malate
Status
Molecule Category	Free-form
UNII	817L1N4CKP
EPA CompTox	DTXSID0027640

Synonyms

Apple acid

D,l-malic acid

Dl-malic acid

E-296

E296

FEMA NO. 2655

Hydroxybutanedioic acid

Hydroxybutanedioic acid, (-)-

Hydroxysuccinnic acid (-)

INS NO. 296

INS NO.296

INS-296

L-malate

L-malic acid

Malate

Status

Molecule Category

Free-form

UNII

817L1N4CKP

EPA CompTox

DTXSID0027640


InChI Key	BJEPYKJPYRNKOW-UHFFFAOYSA-N
Smiles	O=C(O)CC(O)C(=O)O
InChI	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)

InChI Key

BJEPYKJPYRNKOW-UHFFFAOYSA-N

Smiles

O=C(O)CC(O)C(=O)O

InChI

InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)

Property Name	Value
Molecular Formula	C4H6O5
Molecular Weight	134.09
AlogP	-1.09
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	94.83
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C4H6O5

Molecular Weight

134.09

AlogP

-1.09

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

94.83

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

9.0

Resources	Reference
ChEBI	6650
ChEMBL	CHEMBL1455497
DrugBank	DB12751
FDA SRS	817L1N4CKP
Human Metabolome Database	HMDB0000744
Guide to Pharmacology	2480
KEGG	C00711
PubChem	525
SureChEMBL	SCHEMBL856

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

HMDB0000744

Guide to Pharmacology

KEGG

PubChem

SureChEMBL

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...

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Last update: Monday, 3 November 2025

MALIC ACID

Structure

Physicochemical Descriptors

Cross References