Pedilstatin (BioDeep_00000007826)

PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product

代谢物信息卡片

(1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2Z,4E)-octa-2,4-dienoate

化学式: C30H40O7 (512.2773890000001)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 4.26%

分子结构信息

SMILES: C1=C(CO)C[C@@]2([H])C(C(C)=C[C@@]2([H])[C@@]2(O)[C@@H]([C@@H](OC(=O)/C=C\C=C\CCC)[C@@]3(OC(C)=O)C(C)(C)[C@@]3([H])[C@@]21[H])C)=O
InChI: InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21+,22+,23-,26-,27-,29+,30-/m1/s1

描述信息

A phorbol ester that is 4-deoxyphorbol in which the hydroxy groups at positions 12 and 13 have been replaced by octa-2,4-dienoyloxy and acetyloxy groups respectively.

同义名列表

5 个代谢物同义名

Pedilstatin; (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2Z,4E)-octa-2,4-dienoate; 4-deoxy-4alpha-phorbol 13-acetate 12-(2Z,4E)-octa-2,4-dienoate; 12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate; Pedilstatin

数据库引用编号

18 个数据库交叉引用编号

ChEBI: CHEBI:743
KEGG: C09143
PubChem: 643665
PubChem: 5281385
PubChem: 579170
Metlin: METLIN53688
ChEMBL: CHEMBL519593
ChEMBL: CHEMBL518848
LipidMAPS: LMPR0104330004
KNApSAcK: C00003459
CAS: 70028-76-1
PMhub: MS000021322
MetaboLights: MTBLC743
PubChem: 11335
3DMET: B02715
NIKKAJI: J69.990J
KNApSAcK: 743
LOTUS: LTS0172066

分类词条

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)

13 个相关的物种来源信息

2759 - Eukaryota: LTS0172066
3990 - Euphorbia: 10.1021/NP020115B
3990 - Euphorbia: LTS0172066
142860 - Euphorbia tirucalli: 10.1021/NP50001A006
212310 - Euphorbia tithymaloides: 10.1021/NP020115B
212310 - Euphorbia tithymaloides: LTS0172066
3977 - Euphorbiaceae: LTS0172066
3398 - Magnoliopsida: LTS0172066
212309 - Pedilanthus: 10.1021/NP020115B
212309 - Pedilanthus: LTS0172066
35493 - Streptophyta: LTS0172066
58023 - Tracheophyta: LTS0172066
33090 - Viridiplantae: LTS0172066

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

Jorik M van Rijn, Rico Chandra Ardy, Zarife Kuloğlu, Bettina Härter, Désirée Y van Haaften-Visser, Hubert P J van der Doef, Marliek van Hoesel, Aydan Kansu, Anke H M van Vugt, Marini Thian, Freddy T M Kokke, Ana Krolo, Meryem Keçeli Başaran, Neslihan Gurcan Kaya, Aysel Ünlüsoy Aksu, Buket Dalgıç, Figen Ozcay, Zeren Baris, Renate Kain, Edwin C A Stigter, Klaske D Lichtenbelt, Maarten P G Massink, Karen J Duran, Joke B G M Verheij, Dorien Lugtenberg, Peter G J Nikkels, Henricus G F Brouwer, Henkjan J Verkade, René Scheenstra, Bart Spee, Edward E S Nieuwenhuis, Paul J Coffer, Andreas R Janecke, Gijs van Haaften, Roderick H J Houwen, Thomas Müller, Sabine Middendorp, Kaan Boztug. Intestinal Failure and Aberrant Lipid Metabolism in Patients With DGAT1 Deficiency. Gastroenterology. 2018 07; 155(1):130-143.e15. doi: 10.1053/j.gastro.2018.03.040. [PMID: 29604290]