MiMeDB: Showing metabocard for 2-Phospho-D-glyceric acid (MMDBc0029800)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:42:10 UTC

Update Date

2024-10-13 14:04:28 UTC

Metabolite ID

MMDBc0029800

Metabolite Identification

Common Name

2-Phospho-D-glyceric acid

Description

2-Phospho-D-glycerate or 2PG is an intermediate in gluconeogenesis. It is a glyceric acid which serves as the substrate in the ninth step of glycolysis. 2PG is converted by enolase into phosphoenolpyruvate (PEP), the penultimate step in the conversion of glucose to pyruvate. More specifically, 2PG can be generated from Glycerate-3-phosphate via phosphoglycerate mutase or from phosphoenolpyrvate via alpha enolase.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Phospho-D-glycerate	ChEBI
2-PHOSPHOGLYCERIC ACID	ChEBI
D-Glycerate 2-phosphate	ChEBI
2-Phospho-(R)-glycerate	Kegg
2-PHOSPHOGLYCERate	Generator
D-Glyceric acid 2-phosphoric acid	Generator
2-Phospho-(R)-glyceric acid	Generator
(2R)-3-Hydroxy-2-(phosphonooxy)propanoate	HMDB
(2R)-3-Hydroxy-2-(phosphonooxy)propanoic acid	HMDB
3-D-Hydroxy-2-phosphonooxy-propanoate	HMDB
3-D-Hydroxy-2-phosphonooxy-propanoic acid	HMDB
D-(+)-2-Phosphoglyceric acid	HMDB
D-2-Phosphoglyceric acid	HMDB
D-Glyceric acid 2-phosphate	HMDB
2-Phospho-D-glyceric acid	HMDB

Molecular Formula

C₃H₇O₇P

Average Mass

186.0572

Monoisotopic Mass

185.99293909

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

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

InChI Key

GXIURPTVHJPJLF-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

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

2-phosphoglyceric acid (CHEBI:17835 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Feces
Placenta
Urine

Tissue Locations

Placenta

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191936	Bisphosphoglycerate mutase	Enzyme	P07738	Homo sapiens
MMDBp0191937	Phosphoglycerate mutase 2	Enzyme	P15259	Homo sapiens
MMDBp0191938	Probable phosphoglycerate mutase 4	Enzyme	Q8N0Y7	Homo sapiens
MMDBp0191939	Phosphoglycerate mutase 1	Enzyme	P18669	Homo sapiens
MMDBp0192691	Beta-enolase	Unknown	P13929	Homo sapiens
MMDBp0192692	Gamma-enolase	Unknown	P09104	Homo sapiens
MMDBp0192693	Alpha-enolase	Unknown	P06733	Homo sapiens
MMDBp0194174	Multiple inositol polyphosphate phosphatase 1	Enzyme	Q9UNW1	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0001355	Glyceric acid	2-Phospho-D-glyceric acid	Not Available	VMH; KEGG	30371894
MMDBr0007329	2-Phospho-D-glyceric acid	Phosphoenolpyruvic acid	Not Available	VMH; KEGG	30371894
MMDBr0007524	2-Phospho-D-glyceric acid	3-Phospho-D-glycerate	Not Available	VMH; KEGG	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Eosinophilic esophagitis		Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	182	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	391	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	128	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	126	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified							HMDB
Human Urine	Detected and Quantified	57.274	80.719	umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Placenta	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0003391

DrugBank ID

DB01709

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

6915

PubChem Compound

439278

PDB ID

Not Available

ChEBI ID

17835

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for 2-Phospho-D-glyceric acid (MMDBc0029800)

MOL for #<Metabolite:0x00007fdb72077948>

3D MOL for #<Metabolite:0x00007fdb72077948>

3D SDF for #<Metabolite:0x00007fdb72077948>

3D-SDF for #<Metabolite:0x00007fdb72077948>

PDB for #<Metabolite:0x00007fdb72077948>

3D PDB for #<Metabolite:0x00007fdb72077948>

SMILES for #<Metabolite:0x00007fdb72077948>

INCHI for #<Metabolite:0x00007fdb72077948>

Structure for #<Metabolite:0x00007fdb72077948>

3D Structure for #<Metabolite:0x00007fdb72077948>