6-(Methylthio)hexyl glucosinolate (BioDeep_00000003019)

human metabolite PANOMIX_OTCML-2023

代谢物信息卡片

{[(e)-[7-(methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene]amino]oxy}sulphonic acid

化学式: C14H27NO9S3 (449.0847892)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 0.09%

分子结构信息

SMILES: CSCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
InChI: InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/b15-10+

描述信息

6-(Methylthio)hexyl glucosinolate is found in horseradish. 6-(Methylthio)hexyl glucosinolate is present in Arabidopsis thaliana and other crucifers.
Present in Arabidopsis thaliana and other crucifers. 6-(Methylthio)hexyl glucosinolate is found in horseradish.

同义名列表

10 个代谢物同义名

{[(e)-[7-(methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene]amino]oxy}sulphonic acid; {[(E)-[7-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino]oxy}sulfonic acid; {[(e)-[7-(methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene]amino]oxy}sulphonate; [(E)-[7-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino]oxysulfonic acid; {[(e)-[7-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino]oxy}sulfonate; 1-thio-b-Glucopyranose 1-[7-(methylthio)-N-(sulfooxy)heptanimidate], 9ci; 6-(Methylthio)hexyl glucosinolic acid; 6-(Methylthio)hexyl glucosinolate; 6-Methylthiohexyl glucosinolate; Glucolesquerellin

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:80987
KEGG: C17250
PubChem: 46173875
PubChem: 14206050
PubChem: 75144756
HMDB: HMDB0038409
Metlin: METLIN71611
MetaCyc: CPDQT-420
KNApSAcK: C00007844
foodb: FDB017763
chemspider: 35014568
CAS: 74542-17-9
PMhub: MS000007725
PubChem: 96023657
NIKKAJI: J2.736.863H

分类词条

代谢反应

4 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(1)

Glucosinolate biosynthesis from methionine: 5-Methylthiopentyl glucosinolate ⟶ 5-(Methylsulfinyl)pentyl glucosinolate

Plant Reactome(0)

INOH(0)

PlantCyc(3)

glucosinolate activation: H₂O + an aliphatic glucosinolate ⟶ D-glucopyranose + a thiohydroximate-O-sulfate
glucosinolate biosynthesis from tetrahomomethionine: (Z)-1-(L-cystein-S-yl)-N-hydroxy-ω-(methylsulfanyl)heptan-1-imine + H₂O ⟶ (Z)-ω-(methylsulfanyl)heptyl-thiohydroximate + ammonium + pyruvate
glucosinolate biosynthesis from tetrahomomethionine: (Z)-1-(L-cystein-S-yl)-N-hydroxy-ω-(methylsulfanyl)heptan-1-imine + H₂O ⟶ (Z)-ω-(methylsulfanyl)heptyl-thiohydroximate + ammonium + pyruvate

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

10 个相关的物种来源信息

7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
3702 - Arabidopsis thaliana: 10.3390/IJMS17091565
980117 - Dithyrea californica: 10.1021/NP800738W
115931 - Erysimum asperum: 10.1016/0031-9422(73)80705-8
9606 - Homo sapiens: -
1244076 - Paysonia auriculata: 10.1021/JO01068A644
1244078 - Paysonia lescurii: 10.1021/JO01068A644
1244079 - Paysonia lyrata: 10.1021/JO01068A644
2499982 - Paysonia perforata: 10.1021/JO01068A644
1520950 - Physaria pinetorum: 10.1021/JO01068A644

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。