Record Information |
---|
Version | 1.0 |
---|
Created at | 2020-04-17 19:07:55 UTC |
---|
Updated at | 2020-12-07 19:11:32 UTC |
---|
CannabisDB ID | CDB005086 |
---|
Secondary Accession Numbers | Not Available |
---|
Cannabis Compound Identification |
---|
Common Name | Glyceric acid 1,3-biphosphate |
---|
Description | Glyceric acid 1,3-biphosphate, also known as 1,3-bisphospho-D-glycerate or 3-phospho-D-glyceroyl phosphate, 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. The (R)-enantiomer of 3-phosphoglyceroyl dihydrogen phosphate. Glyceric acid 1,3-biphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Glyceric acid 1,3-biphosphate exists in all living species, ranging from bacteria to humans. Within humans, glyceric acid 1,3-biphosphate participates in a number of enzymatic reactions. In particular, glyceric acid 1,3-biphosphate can be biosynthesized from D-glyceraldehyde 3-phosphate; which is catalyzed by the enzyme glyceraldehyde-3-phosphate dehydrogenase. In addition, glyceric acid 1,3-biphosphate can be biosynthesized from 3-phosphoglyceric acid through the action of the enzyme pantothenate kinase 1. In humans, glyceric acid 1,3-biphosphate is involved in the metabolic disorder called the glycogen storage disease type 1A (gsd1a) or von gierke disease pathway. Outside of the human body, Glyceric acid 1,3-biphosphate has been detected, but not quantified in, several different foods, such as cherry tomato, jostaberries, canada blueberries, lovages, and mamey sapotes. This could make glyceric acid 1,3-biphosphate a potential biomarker for the consumption of these foods. Glyceric acid 1,3-biphosphate is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
---|
Structure | |
---|
Synonyms | Value | Source |
---|
(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid | ChEBI | 1,3-Bisphospho-D-glycerate | ChEBI | 3-Phospho-D-glyceroyl phosphate | ChEBI | D-Glycerate 1,3-diphosphate | Kegg | (R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoate | Generator | 1,3-Bisphospho-D-glyceric acid | Generator | 3-Phospho-D-glyceroyl phosphoric acid | Generator | D-Glyceric acid 1,3-diphosphoric acid | Generator | Glycerate 1,3-biphosphate | Generator | Glyceric acid 1,3-biphosphoric acid | Generator | 3-Phospho-D-glyceroyl dihydrogen phosphoric acid | HMDB | 1,3-Biphosphoglycerate | HMDB | 1,3-Bisphosphoglycerate | HMDB | 1,3-Bisphosphoglyceric acid | HMDB | 1,3-Diphosphoglycerate | HMDB | 1,3-Diphosphoglyceric acid | HMDB | 3-Phospho-D-glyceroyl-phosphate | HMDB | 3-Phosphoglyceroyl phosphate | HMDB | 3-Phosphoglyceroyl-p | HMDB | 3-Phosphoglyceroyl-phosphate | HMDB | 3-Phosphonato-D-glyceroyl phosphate | HMDB | 3-Phosphonatoglyceroyl phosphate | HMDB | 3-p-Glyceroyl-p | HMDB | D-Glycerate 1,3-biphosphate | HMDB | D-Glycerate 1,3-bisphosphate | HMDB | D-Glyceric acid 1,3-biphosphate | HMDB | D-Glyceric acid 1,3-bisphosphate | HMDB | D-Glyceric acid 1,3-diphosphate | HMDB | DPG | HMDB | Glycerate 1,3-bisphosphate | HMDB | Glycerate 1,3-diphosphate | HMDB | Glyceric acid 1,3-bisphosphate | HMDB | Glyceric acid 1,3-diphosphate | HMDB | Phosphoglyceroyl-p | HMDB | p-Glyceroyl-p | HMDB | Glyceric acid 1,3-biphosphate | HMDB |
|
---|
Chemical Formula | C3H8O10P2 |
---|
Average Molecular Weight | 266.04 |
---|
Monoisotopic Molecular Weight | 265.9593 |
---|
IUPAC Name | {[(2R)-2-hydroxy-3-(phosphonooxy)propanoyl]oxy}phosphonic acid |
---|
Traditional Name | 1,3-bisphospho-D-glycerate |
---|
CAS Registry Number | 38168-82-0 |
---|
SMILES | O[C@H](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)/t2-/m1/s1 |
---|
InChI Key | LJQLQCAXBUHEAZ-UWTATZPHSA-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 | |
---|
Ontology |
---|
|
Physiological effect | Health effect: |
---|
Disposition | Source: Biological location: |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | logP | Not Available | Not Available |
|
---|
Predicted Properties | [] |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
Predicted GC-MS | Glyceric acid 1,3-biphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-9500000000-cb3071f9249ee92b7d2c | Spectrum | Predicted GC-MS | Glyceric acid 1,3-biphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-1950000000-2cde7b5739871a882542 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014m-3910000000-72f2c46eab2036938056 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000f-9500000000-c835034f0ac11618922d | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03fr-6190000000-6f4870543fc6131d14a7 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-d9d9c6d217a255d791fd | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-1fef400a1ea8ca54c802 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03dj-0090000000-def40aa9bb3094302ce8 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01r2-9040000000-374a9ff8c866f10f2f3c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-4bf2b9a14f4e1c8fc62a | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00kb-1390000000-8fe62bbfc56bf59f28a6 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9410000000-e17767e21640a6f81532 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-c41dab2684b9d54afd31 | 2021-09-22 | View Spectrum |
|
---|