(±)-Pelletierine (BioDeep_00000006078)

Main id: BioDeep_00000019536

human metabolite Endogenous Volatile Flavor Compounds

代谢物信息卡片

2-Propanone, 1-(2-piperidinyl)-, (+-) (9ci)

化学式: C8H15NO (141.115358)
中文名称: 石榴根皮碱
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(=O)CC1CCCCN1
InChI: InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3

描述信息

(±)-pelletierine, also known as (-)-isomer of isopelletierine or (+-)-1-(2-piperidinyl)-2-propanone, is a member of the class of compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms (±)-pelletierine is soluble (in water) and an extremely weak acidic compound (based on its pKa). (±)-pelletierine can be found in pomegranate, which makes (±)-pelletierine a potential biomarker for the consumption of this food product.
(±)-Pelletierine is found in fruits. (±)-Pelletierine is an alkaloid from pomegranat

同义名列表

13 个代谢物同义名

2-Propanone, 1-(2-piperidinyl)-, (+-) (9ci); (+-)-1-(2-Piperidinyl)-2-propanone; (+-)-Isomer OF isopelletierine; 1-(piperidin-2-yl)propan-2-one; (-)-Isomer OF isopelletierine; 1-(2-Piperidinyl)acetone; 2-Acetonylpiperidine; (+-)-Pelletierine; (±)-Pelletierine; DL-Pelletierine; Isopelletierine; Pelletierine; Pelletierine

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:7952
KEGG: C06182
PubChem: 92987
HMDB: HMDB0030325
Metlin: METLIN43983
ChEMBL: CHEMBL2448876
KNApSAcK: C00002062
foodb: FDB002166
chemspider: 21172044
CAS: 4396-01-4
CAS: 539-00-4
PubChem: 8433
3DMET: B05173
NIKKAJI: J113.934G
KNApSAcK: 7952

分类词条

Piperidines

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)

22 个相关的物种来源信息

1308045 - Centaurea nigrescens: 10.1016/J.PHYTOCHEM.2017.07.002
9606 - Homo sapiens: -
73626 - Lycopodiastrum casuarinoides:
130381 - Piper arboreum: 10.1016/J.PHYTOCHEM.2017.07.012
22663 - Punica granatum:
23028 - Sedum acre:
2726410 - Sedum aetnense: 10.1016/S0031-9422(00)97554-X
1239887 - Sedum alpestre: 10.1007/BF00937658
1239890 - Sedum annuum: 10.1007/BF00937658
1239891 - Sedum apoleipon: 10.1007/BF00937658
2726412 - Sedum borissovae: 10.1007/BF00937658
91130 - Sedum farinosum: 10.1016/S0031-9422(00)97554-X
91132 - Sedum fusiforme: 10.1016/S0031-9422(00)97554-X
1532438 - Sedum grisebachii: 10.1007/BF00937658
91136 - Sedum laconicum: 10.1007/BF00937658
91137 - Sedum lancerottense: 10.1016/S0031-9422(00)97554-X
2726419 - Sedum litoreum: 10.1007/BF00937658
91141 - Sedum multiceps: 10.1007/BF00937658
85264 - Sedum nudum: 10.1016/S0031-9422(00)97554-X
1239923 - Sedum ursi: 10.1007/BF00937658
91149 - Sedum urvillei: 10.1007/BF00937658
126910 - Withania somnifera: 10.2307/4117899

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。

文献列表

Juan Wang, Ze-Kun Zhang, Fang-Fang Jiang, Bo-Wen Qi, Ning Ding, Saw Yu Yu Hnin, Xiao Liu, Jun Li, Xiao-Hui Wang, Peng-Fei Tu, Ikuro Abe, Hiroyuki Morita, She-Po Shi. Deciphering the Biosynthetic Mechanism of Pelletierine in Lycopodium Alkaloid Biosynthesis. Organic letters. 2020 11; 22(21):8725-8729. doi: 10.1021/acs.orglett.0c03339. [PMID: 33104367]