ChemFOnt: Showing chemical card for D-Glycerate 3-phosphate (CFc000040628)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:42:13 UTC

Chemfont ID

CFc000040628

Molecule Identification

Common Name

D-Glycerate 3-phosphate

Definition

(2R)-2-Hydroxy-3-(phosphonatooxy)propanoate, also known as 3-phospho-(R)-glycerate or D-glycerate 3-phosphate, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group (2R)-2-Hydroxy-3-(phosphonatooxy)propanoate is a drug (2R)-2-hydroxy-3-(phosphonatooxy)propanoate has been detected, but not quantified, in several different foods, such as poppies, small-leaf lindens, lupines, pomegranates, and kombus. These are compounds containing a saccharide unit which bears a carboxylic acid group.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3-Phospho-(R)-glycerate	ChEBI
3-Phospho-D-glycerate	ChEBI
3-Phosphoglycerate	ChEBI
3-Phospho-(R)-glyceric acid	Generator
3-Phospho-D-glyceric acid	Generator
3-Phosphoglyceric acid	Generator
D-Glyceric acid 3-phosphoric acid	Generator
(2R)-2-Hydroxy-3-(phosphonatooxy)propanoic acid	HMDB
(2R)-2-Hydroxy-3-(phosphonooxy)propanoic acid	HMDB
2-Hydroxy-3-(phosphonatooxy)propanoate	HMDB
D-(-)-3-Phosphoglyceric acid	HMDB
D-3-Phosphoglyceric acid	HMDB
D-Glyceric acid 3-phosphate	HMDB
Glycerate 3-phosphate	MeSH
3-Phosphoglycerate, trisodium salt	MeSH
3-Phosphoglycerate, monosodium salt	MeSH
3-Phosphoglycerate, (R)-isomer	MeSH
D-Glycerate 3-phosphate	ChEBI

Chemical Formula

C₃H₇O₇P

Average Molecular Weight

186.0572

Monoisotopic Molecular Weight

185.99293909

IUPAC Name

(2R)-2-hydroxy-3-(phosphonooxy)propanoic acid

Traditional Name

D-glycerate 3-phosphate

CAS Registry Number

3443-58-1

SMILES

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

InChI Identifier

InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

InChI Key

OSJPPGNTCRNQQC-UWTATZPHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar acids and derivatives

Alternative Parents

Substituents

Glyceric_acid
Monoalkyl phosphate
Alpha-hydroxy acid
Hydroxy acid
Monosaccharide
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Carboxylic acid
Alcohol
Carbonyl group
Organic oxide
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

3-phosphoglyceric acid (CHEBI:17794 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Saliva (HMDB: HMDB0060180)

Source

Exogenous

Exogenous (HMDB: HMDB0060180)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	21 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-1.6	ChemAxon
logS	-0.95	ALOGPS
pKa (Strongest Acidic)	1.3	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	124.29 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	31.26 m³·mol⁻¹	ChemAxon
Polarizability	13.54 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon