Reaction Process: PlantCyc:ORUFIPOGON_PWY-5312

superpathway of anthocyanin biosynthesis (from pelargonidin 3-O-glucoside) related metabolites

find 14 related metabolites which is associated with chemical reaction(pathway) superpathway of anthocyanin biosynthesis (from pelargonidin 3-O-glucoside)

trans-caffeoyl-CoA + pelargonidin-3,5-di-O-β-D-glucoside ⟶ bisdemalonylsalvianin + coenzyme A

Pelargonidin 3,5-di-O-glucoside

7-hydroxy-2-(4-hydroxyphenyl)-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1λ⁴-chromen-1-ylium

[C27H31O15]+ (595.1662876)


Pelargonin is a member of the class of compounds known as anthocyanidin-5-o-glycosides. Anthocyanidin-5-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Pelargonin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonin can be found in a number of food items such as green bean, grass pea, pomegranate, and yellow wax bean, which makes pelargonin a potential biomarker for the consumption of these food products. Pelargonin is an anthocyanin. It is the 3,5-O-diglucoside of pelargonidin . Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBB01_Pelargonin_pos_50eV.txt [Raw Data] CBB01_Pelargonin_pos_40eV.txt [Raw Data] CBB01_Pelargonin_pos_20eV.txt [Raw Data] CBB01_Pelargonin_pos_10eV.txt [Raw Data] CBB01_Pelargonin_pos_30eV.txt

   

Pelargonidin 3-glucoside

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

[C21H21O10]+ (433.11346660000004)


Acquisition and generation of the data is financially supported in part by CREST/JST.

   

Pelargonidin 3-(6'-malonylglucoside)

3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium

C24H23O13+ (519.1138608)


Pelargonidin 3-(6-malonylglucoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-(6-malonylglucoside) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Pelargonidin 3-(6-malonylglucoside) can be found in cloudberry, lupine, red raspberry, and strawberry, which makes pelargonidin 3-(6-malonylglucoside) a potential biomarker for the consumption of these food products.

   

4-Coumaroyl-CoA

4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-{2-[(2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid

C30H42N7O18P3S (913.1519822000001)


4-Coumaroyl-CoA (CAS: 30802-00-7), also known as p-coumaroyl-CoA, belongs to the class of organic compounds known as 2-enoyl CoAs. These are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain. 4-Coumaroyl-CoA is a strong basic compound (based on its pKa). (E)-p-Coumaroyl-CoA, also known as trans-p-coumaroyl-CoA, is an important intermediate in various biological pathways, particularly in plants. It plays a key role in the biosynthesis of numerous secondary metabolites, including flavonoids and lignins. Structurally, it consists of a Coenzyme A (CoA) molecule esterified with trans-p-coumaric acid, a type of hydroxycinnamic acid. This compound is involved in the phenylpropanoid pathway, where it serves as a precursor for the synthesis of a wide range of compounds with diverse biological functions. The presence of the CoA group allows it to participate in enzymatic reactions, facilitating the transfer of the p-coumaroyl group to other molecules, thereby contributing to the synthesis of complex biochemical compounds. Coenzyme A, S-[(2E)-3-(4-hydroxyphenyl)-2-propenoate]. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=119785-99-8 (retrieved 2024-07-12) (CAS RN: 119785-99-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Hydrogen Ion

Hydrogen cation

H+ (1.0078246)


Hydrogen ion, also known as proton or h+, is a member of the class of compounds known as other non-metal hydrides. Other non-metal hydrides are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is belongs to the class of other non-metals. Hydrogen ion can be found in a number of food items such as lowbush blueberry, groundcherry, parsley, and tarragon, which makes hydrogen ion a potential biomarker for the consumption of these food products. Hydrogen ion exists in all living organisms, ranging from bacteria to humans. In humans, hydrogen ion is involved in several metabolic pathways, some of which include cardiolipin biosynthesis cl(i-13:0/a-25:0/a-21:0/i-15:0), cardiolipin biosynthesis cl(a-13:0/a-17:0/i-13:0/a-25:0), cardiolipin biosynthesis cl(i-12:0/i-13:0/a-17:0/a-15:0), and cardiolipin biosynthesis CL(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)). Hydrogen ion is also involved in several metabolic disorders, some of which include de novo triacylglycerol biosynthesis TG(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)), de novo triacylglycerol biosynthesis TG(18:2(9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z)), de novo triacylglycerol biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)), and de novo triacylglycerol biosynthesis TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0). A hydrogen ion is created when a hydrogen atom loses or gains an electron. A positively charged hydrogen ion (or proton) can readily combine with other particles and therefore is only seen isolated when it is in a gaseous state or a nearly particle-free space. Due to its extremely high charge density of approximately 2×1010 times that of a sodium ion, the bare hydrogen ion cannot exist freely in solution as it readily hydrates, i.e., bonds quickly. The hydrogen ion is recommended by IUPAC as a general term for all ions of hydrogen and its isotopes. Depending on the charge of the ion, two different classes can be distinguished: positively charged ions and negatively charged ions . Hydrogen ion is recommended by IUPAC as a general term for all ions of hydrogen and its isotopes. Depending on the charge of the ion, two different classes can be distinguished: positively charged ions and negatively charged ions. Under aqueous conditions found in biochemistry, hydrogen ions exist as the hydrated form hydronium, H3O+, but these are often still referred to as hydrogen ions or even protons by biochemists. [Wikipedia])

   

Uridine-diphosphate

Uridine-diphosphate

C9H11N2O12P2-3 (400.9787246)


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Pelargonidin 3-sophoroside

3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

C28H33O14+ (593.1870218)


Pelargonidin 3-sophoroside is found in red raspberry. Pelargonidin 3-sophoroside is isolated from petals of Papaver rhoeas (corn poppy). Isolated from petals of Papaver rhoeas (corn poppy). Pelargonidin 3-sophoroside is found in scarlet bean and red raspberry.

   

coenzyme A(4-)

coenzyme A(4-)

C21H32N7O16P3S-4 (763.0839062)


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pelargonidin 3-O-rutinoside betaine

pelargonidin 3-O-rutinoside betaine

C27H30O14 (578.163548)


   
   
   

malonyl-CoA(5-)

malonyl-CoA(5-)

C24H33N7O19P3S-5 (848.0764758000001)


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3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)-5-(beta-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)chromenium-7-olate

3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)-5-(beta-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)chromenium-7-olate

C36H36O18 (756.1901556)