ChemFOnt: Showing chemical card for Glyceric acid 1,3-biphosphate (CFc000000983)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:45:31 UTC

Chemfont ID

CFc000000983

Molecule Identification

Common Name

Glyceric acid 1,3-biphosphate

Definition

1362

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Glycerate 1,3-biphosphate	Generator
Glyceric acid 1,3-biphosphoric acid	Generator
3-Phosphoglyceroyl phosphate	MeSH
1,3-Biphosphoglyceric acid	MeSH
1,3-Bisphosphoglycerate	MeSH
1,3-Diphosphoglycerate	MeSH
1,3-Biphosphoglycerate	HMDB
1,3-Bis-phosphoglycerate	HMDB
1,3-Diphosphateglycerate	HMDB
13-DPG	HMDB
2-Hydroxy-3-(phosphonooxy)-propanoate	HMDB
2-Hydroxy-3-(phosphonooxy)-propanoic acid	HMDB
2-Hydroxy-3-(phosphonooxy)-propanoic acid 1-anhydride with phosphorate	HMDB
2-Hydroxy-3-(phosphonooxy)-propanoic acid 1-anhydride with phosphoric acid	HMDB
3-P-Glyceroyl-P	HMDB
3-phospho-D-Glyceroyl phosphate	HMDB
3-phospho-D-Glyceroyl-phosphate	HMDB
3-Phosphoglyceroyl-P	HMDB
3-Phosphoglyceroyl-phosphate	HMDB
DPG	HMDB
Glycerate 1,3-bisphosphate	HMDB
Glycerate 1,3-diphosphate	HMDB
P-Glyceroyl-P	HMDB
Phosphoglyceroyl-P	HMDB

Chemical Formula

C₃H₈O₁₀P₂

Average Molecular Weight

266.0371

Monoisotopic Molecular Weight

265.9592695

IUPAC Name

{[2-hydroxy-3-(phosphonooxy)propanoyl]oxy}phosphonic acid

Traditional Name

1,3-bisphosphoglycerate

CAS Registry Number

38168-82-0

SMILES

OC(COP(O)(O)=O)C(=O)OP(O)(O)=O

InChI Identifier

InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)

InChI Key

LJQLQCAXBUHEAZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyl monophosphates. These are organic compounds containing a monophosphate linked to an acyl group. They have the general structure R-CO-P(O)(O)OH, R=H or organyl.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic phosphoric acids and derivatives

Sub Class

Phosphate esters

Direct Parent

Acyl monophosphates

Alternative Parents

Substituents

Acyl monophosphate
Glyceric_acid
Monoalkyl phosphate
Monosaccharide
Alkyl phosphate
Carboxylic acid salt
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxide
Organooxygen compound
Organic oxygen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic salt
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 22007635)
Cellular Cytoplasm (PMID: 15882454)

Cellular substructure

Cytoplasm (HMDB: HMDB0001270)

Source

Endogenous

Endogenous (HMDB: HMDB0001270)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Glycerol Phosphate Shuttle (PathBank: SMP0087436)
Glycolysis (PathBank: SMP0087446)
Warburg Effect (PathBank: SMP0087420)
Mitochondrial Electron Transport Chain (PathBank: SMP0087354)
Fructose Metabolism (PathBank: SMP0121308)
Glycerol Metabolism II (PathBank: SMP0121310)
Glycerol Metabolism III (sn-Glycero-3-Phosphoethanolamine) (PathBank: SMP0121311)
Glycerol Metabolism IV (Glycerophosphoglycerol) (PathBank: SMP0121312)
Gluconeogenesis from L-Malic Acid (PathBank: SMP0002413)
Starch and Sucrose Metabolism (PathBank: SMP0063673)
Gluconeogenesis (PathBank: SMP0087318)
Starch and Sucrose Metabolism (PathBank: SMP0002380)
Glycerol Metabolism (PathBank: SMP0121309)
Glycerol Metabolism V (Glycerophosphoserine) (PathBank: SMP0121313)
Glycolysis and Pyruvate Dehydrogenase (PathBank: SMP0000807)
Gluconeogenesis from L-Malic Acid (PathBank: SMP0000839)
Glycolysis I (PathBank: SMP0002312)
Ethanol Fermentation (PathBank: SMP0002356)
Photosynthesis (PathBank: SMP0012089)
Calvin-Benson Cycle (PathBank: SMP0012094)

Disease pathway

Glycogenosis, Type III. Cori Disease, Debrancher Glycogenosis (PathBank: SMP0120617)
Fructose-1,6-diphosphatase Deficiency (PathBank: SMP0120626)
Fanconi-Bickel Syndrome (PathBank: SMP0120636)
Glycogenosis, Type VII. Tarui Disease (PathBank: SMP0120815)
Mucopolysaccharidosis VII. Sly Syndrome (PathBank: SMP0120839)
Sucrase-Isomaltase Deficiency (PathBank: SMP0120840)
Glycogenosis, Type IC (PathBank: SMP0120857)
Glycogenosis, Type IA. Von Gierke Disease (PathBank: SMP0120864)
Glycogen Synthetase Deficiency (PathBank: SMP0120616)
Glycogenosis, Type VI. Hers Disease (PathBank: SMP0120838)
Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1) (PathBank: SMP0120843)
Triosephosphate Isomerase Deficiency (PathBank: SMP0120846)
Glycogenosis, Type IB (PathBank: SMP0120856)
Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease (PathBank: SMP0120488)
Glycogenosis, Type IV. Amylopectinosis, Anderson Disease (PathBank: SMP0120837)

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	9.64 g/L	ALOGPS
logP	-1.1	ALOGPS
logP	-2.3	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	1.01	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	170.82 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	42.42 m³·mol⁻¹	ChemAxon
Polarizability	18.04 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

External Links

HMDB ID

HMDB0062758

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022524

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

683

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Glyceric acid 1,3-biphosphate (CFc000000983)

MOL for CFc000000983 (Glyceric acid 1,3-biphosphate)

3D MOL for CFc000000983 (Glyceric acid 1,3-biphosphate)

3D SDF for CFc000000983 (Glyceric acid 1,3-biphosphate)

3D-SDF for CFc000000983 (Glyceric acid 1,3-biphosphate)

PDB for CFc000000983 (Glyceric acid 1,3-biphosphate)

3D PDB for CFc000000983 (Glyceric acid 1,3-biphosphate)

SMILES for CFc000000983 (Glyceric acid 1,3-biphosphate)

INCHI for CFc000000983 (Glyceric acid 1,3-biphosphate)

Structure for CFc000000983 (Glyceric acid 1,3-biphosphate)

3D Structure for CFc000000983 (Glyceric acid 1,3-biphosphate)