Pelargonin (BioDeep_00000018644)

 

Secondary id: BioDeep_00000003536

human metabolite PANOMIX_OTCML-2023 PANOMIX-Anthocyanidin natural product


代谢物信息卡片


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

化学式: C27H31O15+ (595.1663)
中文名称: 天竺葵素3,5-二-β-D-葡萄糖苷, 天竺葵素3,5-二-O-葡萄糖苷
谱图信息: 最多检出来源 Viridiplantae(plant) 77.39%

分子结构信息

SMILES: c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
InChI: InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1

描述信息

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 .
Pelargonin, also known as pelargonin chloride (CAS: 17334-58-6), belongs to the class of organic compounds known as anthocyanidin-5-O-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Pelargonin is a pigment found in barberries, the petals of the scarlet pelargonium flower pomegranates, and red wine. Pelargonin is found in common bean.

同义名列表

24 个代谢物同义名

7-hydroxy-2-(4-hydroxyphenyl)-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1lambda4-chromen-1-ylium; 3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium; 3,5-Bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium; Pelargonidin 3,5-di-beta-D-glucopyranoside; Pelargonidin 3-O-glucoside-5-O-glucoside; Pelargonidin 3,5-di-β-D-glucopyranoside; Pelargonidin 3,5-di-b-D-glucopyranoside; Pelargonidin 3,5-di-O-beta-D-glucoside; Pelargonidin 3,5-di-beta-D-glucoside; Pelargonidin 3,5-di-O-beta-glucoside; Pelargonidin 3,5-di-O-β-D-glucoside; Pelargonidin 3,5-di-O-b-D-glucoside; Pelargonidin 3,5-di-O-β-glucoside; Pelargonidin 3,5-di-O-b-glucoside; Pelargonidin 3,5-di-b-D-glucoside; Pelargonidin 3,5-di-β-D-glucoside; Pelargonidin-3,5-di-O-diglucoside; Pelargonidin 3,5-di-O-glucoside; Pelargonidin 3,5-O-diglucoside; Pelargonidin 3,5-diglucoside; Pelargonin (glycoside); Pelargonin chloride; Pelargonin; Pelargonin



数据库引用编号

20 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(3)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

76 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有:

  • PubMed: 来源于PubMed文献库中的文献信息,我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表,这个列表按照代谢物同时出现的文献数量降序排序,取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘,得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序,取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中,存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称,可以跳转到相关代谢物的信息页面。

亚细胞结构定位 关联基因列表
Cytoplasm 6 CA1, CA2, EGFR, ERBB2, ESR1, NFE2L2
Peripheral membrane protein 1 ESR1
Endosome membrane 2 EGFR, ERBB2
Endoplasmic reticulum membrane 2 CD4, EGFR
Nucleus 5 EGFR, ERBB2, ESR1, MYB, NFE2L2
cytosol 6 CA1, CA2, ERBB2, ESR1, MYB, NFE2L2
centrosome 1 NFE2L2
nucleoplasm 4 ERBB2, ESR1, MYB, NFE2L2
RNA polymerase II transcription regulator complex 2 MYB, NFE2L2
Cell membrane 9 CA2, CD4, CD81, EGFR, ERBB2, ESR1, ITGAM, KIT, PTPRC
Cytoplasmic side 1 ESR1
ruffle membrane 2 EGFR, ERBB2
Early endosome membrane 1 EGFR
Multi-pass membrane protein 1 CD81
Synapse 1 PTPRC
cell junction 1 EGFR
cell surface 4 EGFR, ITGA2, ITGAM, PTPRC
glutamatergic synapse 1 EGFR
Golgi apparatus 2 ESR1, NFE2L2
Golgi membrane 1 EGFR
neuromuscular junction 1 ERBB2
presynaptic membrane 1 ERBB2
Cytoplasm, cytosol 1 NFE2L2
acrosomal vesicle 1 KIT
endosome 1 EGFR
plasma membrane 12 CA2, CD4, CD81, EGFR, ERBB2, ESR1, IGHE, ITGA2, ITGAM, KIT, NFE2L2, PTPRC
Membrane 9 CD81, EGFR, ERBB2, ESR1, ITGA2, ITGAM, KIT, MYB, PTPRC
apical plasma membrane 2 EGFR, ERBB2
basolateral plasma membrane 3 CD81, EGFR, ERBB2
extracellular exosome 5 CA1, CA2, CD81, ITGAM, PTPRC
extracellular space 5 EGFR, IGHE, IL4, ITGAM, KIT
perinuclear region of cytoplasm 3 EGFR, ERBB2, ITGA2
protein-containing complex 2 EGFR, ESR1
Single-pass type I membrane protein 8 CD4, EGFR, ERBB2, IGHE, ITGA2, ITGAM, KIT, PTPRC
Secreted 1 IL4
extracellular region 3 ERBB2, IGHE, IL4
cytoplasmic side of plasma membrane 2 KIT, PTPRC
basal part of cell 1 ITGA2
transcription regulator complex 1 ESR1
nuclear membrane 1 EGFR
external side of plasma membrane 5 CD4, ITGA2, ITGAM, KIT, PTPRC
cytoplasmic vesicle 1 ERBB2
Early endosome 2 CD4, ERBB2
apical part of cell 1 CA2
cell-cell junction 1 KIT
vesicle 1 CD81
Cell projection, ruffle membrane 1 ERBB2
Cytoplasm, perinuclear region 1 ERBB2
Membrane raft 4 CD4, EGFR, ITGAM, PTPRC
focal adhesion 4 CD81, EGFR, ITGA2, PTPRC
intracellular vesicle 1 EGFR
lateral plasma membrane 1 CD81
receptor complex 3 EGFR, ERBB2, KIT
chromatin 2 ESR1, NFE2L2
mediator complex 1 NFE2L2
IgE immunoglobulin complex 1 IGHE
Basolateral cell membrane 1 CD81
[Isoform 2]: Cell membrane 1 IGHE
fibrillar center 1 KIT
specific granule membrane 1 ITGAM
tertiary granule membrane 1 ITGAM
euchromatin 1 ESR1
myelin sheath 2 CA2, ERBB2
basal plasma membrane 3 CD81, EGFR, ERBB2
[Isoform 3]: Cytoplasm 1 KIT
synaptic membrane 1 EGFR
plasma membrane raft 1 ITGAM
secretory granule membrane 1 PTPRC
endoplasmic reticulum lumen 1 CD4
nuclear matrix 1 MYB
axon terminus 1 ITGA2
immunological synapse 1 CD81
tetraspanin-enriched microdomain 1 CD81
semaphorin receptor complex 1 ERBB2
clathrin-coated endocytic vesicle membrane 2 CD4, EGFR
[Isoform 1]: Nucleus 1 ESR1
protein-DNA complex 1 NFE2L2
[Isoform 1]: Cell membrane 1 ERBB2
integrin complex 2 ITGA2, ITGAM
membrane microdomain 1 PTPRC
[Isoform 3]: Cell membrane 1 IGHE
bleb 1 PTPRC
multivesicular body, internal vesicle lumen 1 EGFR
Shc-EGFR complex 1 EGFR
T cell receptor complex 1 CD4
[Isoform 1]: Secreted 1 IGHE
IgE B cell receptor complex 1 IGHE
immunoglobulin complex, circulating 1 IGHE
ERBB3:ERBB2 complex 1 ERBB2
integrin alphaM-beta2 complex 1 ITGAM
integrin alpha2-beta1 complex 1 ITGA2


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