ChemFOnt: Showing chemical card for D-Mannonic acid (CFc000222372)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:43:06 UTC

Chemfont ID

CFc000222372

Molecule Identification

Common Name

D-Mannonic acid

Definition

D-Mannonic acid, also known as D-mannonate, belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. D-Mannonic acid exists in all living organisms, ranging from bacteria to humans. D-Mannonic acid is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on D-Mannonic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
D-Mannonate	ChEBI
Mannonate	HMDB
D-Mannonic acid	Generator

Chemical Formula

C₆H₁₂O₇

Average Molecular Weight

196.1553

Monoisotopic Molecular Weight

196.058302738

IUPAC Name

(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

Traditional Name

D-mannonic acid

CAS Registry Number

642-99-9

SMILES

OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O

InChI Identifier

InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5+/m1/s1

InChI Key

RGHNJXZEOKUKBD-MBMOQRBOSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Sub Class

Medium-chain hydroxy acids and derivatives

Direct Parent

Medium-chain hydroxy acids and derivatives

Alternative Parents

Substituents

Medium-chain hydroxy acid
Medium-chain fatty acid
Beta-hydroxy acid
Hydroxy fatty acid
Alpha-hydroxy acid
Monosaccharide
Fatty acyl
Fatty acid
Secondary alcohol
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Primary alcohol
Alcohol
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

mannonic acid (CHEBI:33076 )

Functional Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	159 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-3.4	ChemAxon
logS	-0.09	ALOGPS
pKa (Strongest Acidic)	3.39	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	138.45 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	38.27 m³·mol⁻¹	ChemAxon
Polarizability	17.14 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0242119

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

2496757

KEGG Compound ID

C00514

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3246006

PDB ID

Not Available

ChEBI ID

33076

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for D-Mannonic acid (CFc000222372)

MOL for CFc000222372 (D-Mannonic acid)

3D MOL for CFc000222372 (D-Mannonic acid)

3D SDF for CFc000222372 (D-Mannonic acid)

3D-SDF for CFc000222372 (D-Mannonic acid)

PDB for CFc000222372 (D-Mannonic acid)

3D PDB for CFc000222372 (D-Mannonic acid)

SMILES for CFc000222372 (D-Mannonic acid)

INCHI for CFc000222372 (D-Mannonic acid)

Structure for CFc000222372 (D-Mannonic acid)

3D Structure for CFc000222372 (D-Mannonic acid)