Pelargonin (BioDeep_00000018644)
Secondary id: BioDeep_00000003536
human metabolite PANOMIX_OTCML-2023 PANOMIX-Anthocyanidin natural product
代谢物信息卡片
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
- ChEBI: CHEBI:7951
- KEGG: C08725
- PubChem: 441772
- HMDB: HMDB0033681
- Wikipedia: Pelargonin
- MetaCyc: CPD-7137
- KNApSAcK: C00002387
- foodb: FDB006804
- chemspider: 390369
- CAS: 58751-31-8
- ChEBI: CHEBI:133365
- PubChem: 10918
- LipidMAPS: LMPK12010015
- CAS: 17334-58-6
- 3DMET: B02357
- NIKKAJI: J243.859C
- LOTUS: LTS0129471
- KNApSAcK: 133365
- LOTUS: LTS0134189
- wikidata: Q21099638
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
- 65556 - Alcea: LTS0129471
- 65557 - Alcea rosea: 10.1007/BF00393505
- 65557 - Alcea rosea: LTS0129471
- 470585 - Alcea setosa: 10.1007/BF00393505
- 145744 - Althaea: LTS0129471
- 23139 - Amelanchier: LTS0129471
- 32219 - Amelanchier alnifolia: 10.1007/BF00579660
- 32219 - Amelanchier alnifolia: LTS0129471
- 35968 - Amelanchier bartramiana: 10.1007/BF00579660
- 35968 - Amelanchier bartramiana: LTS0129471
- 52529 - Amelanchier humilis: 10.1007/BF00579660
- 52536 - Amelanchier sanguinea: 10.1007/BF00579660
- 52536 - Amelanchier sanguinea: LTS0129471
- 1143213 - Amelanchier spicata: 10.1007/BF00579660
- 1143213 - Amelanchier spicata: LTS0129471
- 4150 - Antirrhinum: LTS0129471
- 3702 - Arabidopsis thaliana: 10.1111/TPJ.14594
- 41773 - Berberidaceae: LTS0129471
- 22774 - Berberis: LTS0129471
- 258147 - Berberis canadensis: 10.1007/BF00579163
- 1433312 - Berberis heteropoda: 10.1007/BF00579163
- 1433312 - Berberis heteropoda: LTS0129471
- 1112794 - Berberis integerrima: 10.1007/BF00579163
- 1112794 - Berberis integerrima: LTS0129471
- 211974 - Berberis koreana: 10.1007/BF00579163
- 211974 - Berberis koreana: LTS0129471
- 258201 - Berberis sieboldii: 10.1007/BF00579163
- 258201 - Berberis sieboldii: LTS0129471
- 258209 - Berberis vulgaris: 10.1007/BF00579163
- 258209 - Berberis vulgaris: LTS0129471
- 3700 - Brassicaceae: LTS0129471
- 4345 - Ericaceae: LTS0129471
- 2759 - Eukaryota: LTS0129471
- 3746 - Fragaria: LTS0129471
- 57918 - Fragaria vesca: 10.1016/S0031-9422(00)83656-0
- 57918 - Fragaria vesca: LTS0129471
- 3747 - Fragaria × ananassa: 10.1111/J.1365-2621.1969.TB10367.X
- 3747 - Fragaria × ananassa: 10.3891/ACTA.CHEM.SCAND.46-0872
- 47605 - Hibiscus: LTS0129471
- 106335 - Hibiscus syriacus: 10.1016/S0031-9422(00)97774-4
- 106335 - Hibiscus syriacus: LTS0129471
- 9606 - Homo sapiens: -
- 3859 - Lathyrus odoratus: 10.1038/187240A0
- 3398 - Magnoliopsida: LTS0129471
- 3629 - Malvaceae: LTS0129471
- 3723 - Matthiola: LTS0129471
- 3724 - Matthiola incana: 10.1007/BF00393505
- 3724 - Matthiola incana: LTS0129471
- 13625 - Paeonia: LTS0129471
- 45171 - Paeonia suffruticosa: 10.2503/JJSHS.60.395
- 45171 - Paeonia suffruticosa: LTS0129471
- 24943 - Paeoniaceae: LTS0129471
- 158595 - Pelargonium dolomiticum: 10.1016/S0031-9422(97)00595-5
- 69923 - Penstemon: LTS0129471
- 69924 - Penstemon centranthifolius: 10.1016/0305-1978(87)90011-1
- 69924 - Penstemon centranthifolius: LTS0129471
- 265144 - Penstemon isophyllus: 10.1016/0305-1978(87)90011-1
- 265144 - Penstemon isophyllus: LTS0129471
- 388166 - Penstemon labrosus: 10.1016/0305-1978(87)90011-1
- 388166 - Penstemon labrosus: LTS0129471
- 265171 - Penstemon utahensis: 10.1016/0305-1978(87)90011-1
- 265171 - Penstemon utahensis: LTS0129471
- 4101 - Petunia: LTS0129471
- 4102 - Petunia × hybrida: 10.1016/0031-9422(91)84250-V
- 3885 - Phaseolus vulgaris: 10.1016/J.FOODCHEM.2004.11.038
- 156152 - Plantaginaceae: LTS0129471
- 22663 - Punica granatum: 10.1007/BF01192733
- 3745 - Rosaceae: LTS0129471
- 509014 - Saraca indica: 10.3109/13880207609081906
- 4070 - Solanaceae: LTS0129471
- 35493 - Streptophyta: LTS0129471
- 58023 - Tracheophyta: LTS0129471
- 13749 - Vaccinium: LTS0129471
- 190548 - Vaccinium uliginosum: 10.1111/J.1365-2621.1987.TB06698.X
- 190548 - Vaccinium uliginosum: LTS0129471
- 33090 - Viridiplantae: LTS0129471
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。